SCHEMBL29439077

SCHEMBL29439077

CC(=O)N(C)c1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]

nearest known ligand 0.74

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 known ✓ P41231 10/20 0.74
▸ P2RY4 known ✓ P51582 12/20 0.70
▸ P2RY12 known ✓ Q9H244 6/20 0.70
▸ P2RY6 known ✓ Q15077 4/20 0.70
▸ P2RY1 known ✓ P47900 2/20 0.69
▸ ENTPD1 P49961 2/20 0.70
▸ MET P08581 3/20 0.70
▸ HGF P14210 2/20 0.70
▸ CDK2 P24941 2/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2854183 1.00 P2RY2 (0.74) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL9173641 0.90 PHLPP2 (0.74) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL29370484 0.89 P2RY12 (0.67) P2RY2P2RY4P2RY12P2RY6MET
SCHEMBL29356677 0.85 P2RY2 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL13316759 0.84 P2RY12 (0.56) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3021097 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3029895 0.83 MET (0.93) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3026030 0.83 P2RY12 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
Acid Blue 25 SCHEMBL29355038 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
Acid Blue 25 SCHEMBL790822 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152343-B1 Trichromatic fiber dyeing processes and compositions thereof COLUMBIA INSURANCE COMPANY (US) 2024-11-26 — — US claimed
CN-114894918-B Rapid extraction and purification method and detection method for acid dye in complex food 宁波海关技术中心 2023-07-04 — — CN claimed
CN-112946140-B Method for detecting water-soluble anion synthetic pigment in food 广州市食品检验所(广州市酒类检测中心) 2023-03-21 — — CN claimed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO claimed
CN-114894918-A Rapid extraction and purification method and detection method for acid dye in complex food 宁波海关技术中心 2022-08-12 — — CN claimed
CN-110243980-B High-throughput detection method for 92 forbidden industrial dyes in food 宁波出入境检验检疫局检验检疫技术中心 2022-03-11 — — CN claimed
CN-119855893-A Liquid cleaning agent composition for fiber products 狮王株式会社 2025-04-18 — — CN disclosed
CN-113646389-B Aqueous ink composition for writing instrument 三菱铅笔株式会社 2025-02-21 — — CN disclosed
WO-2025014926-A1 COMPOSITIONS AND METHODS FOR PERMANENTLY OR REVERSIBLY COLORING FIBERS AND TEXTILES TANDEM REPEAT TECHNOLOGIES, INC. (US) 2025-01-16 — — WO disclosed
EP-4481448-A1 INFRARED PASS FILTER, COLORING COMPOSITION, FILTER FOR SOLID-STATE IMAGING ELEMENT, AND SOLID-STATE IMAGING ELEMENT Toppan Holdings Inc. (JP) 2024-12-25 — — EP disclosed
US-20240405046-A1 INFRARED LIGHT PASS FILTER, COLORING COMPOSITION, FILTER FOR SOLID-STATE IMAGE SENSORS, AND SOLID-STATE IMAGE SENSOR TOPPAN HOLDINGS INC. (JP) 2024-12-05 — — US disclosed
US-12152343-B1 Trichromatic fiber dyeing processes and compositions thereof COLUMBIA INSURANCE COMPANY (US) 2024-11-26 — — US disclosed
CN-118715460-A Infrared light path filter, coloring composition, filter for solid-state imaging element, and solid-state imaging element 凸版控股株式会社 2024-09-27 — — CN disclosed
EP-2504397-B1 POLYMERIC VIOLET ANTHRAQUINONE COLORANT COMPOSITIONS AND METHODS FOR PRODUCING THE SAME MILLIKEN & CO (US) 2022-10-26 — — EP disclosed
CN-109564384-B Photosensitive coloring composition and color filter 东洋油墨SC控股株式会社 2022-09-20 — — CN disclosed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO disclosed
CN-114894918-A Rapid extraction and purification method and detection method for acid dye in complex food 宁波海关技术中心 2022-08-12 — — CN disclosed
CN-111094474-B Near-infrared-curable ink composition, near-infrared-curable film, method for producing near-infrared-curable film, and method for photo-molding 住友金属矿山株式会社 2022-06-07 — — CN disclosed
US-11345615-B2 Activated carbon-iron/cerium oxide nanocomposite suitable for dye removal KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-05-31 — — US disclosed
CN-110243980-B High-throughput detection method for 92 forbidden industrial dyes in food 宁波出入境检验检疫局检验检疫技术中心 2022-03-11 — — CN disclosed
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