SCHEMBL29893274

SCHEMBL29893274

Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(C)[nH]n(-c6ccc(S(=O)(=O)[O-])cc6)c5=O)cc4)cc3S(=O)(=O)[O-])cc2)cc1.[Na+].[Na+]

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 7/20 0.53
▸ CA1 known ✓ P00915 7/20 0.53
▸ CA2 known ✓ P00918 7/20 0.53
▸ THRB known ✓ P10828 1/20 0.52
▸ ALOX5 known ✓ P09917 2/20 0.48
▸ PTGS2 known ✓ P35354 2/20 0.48
▸ ATIC P31939 1/20 0.55
▸ CA9 Q16790 7/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CYP2C19 P33261 1/20 0.44
▸ PTPN1 P18031 2/20 0.42

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
SCHEMBL29353522 0.89 CA12 (0.66) ATICCA12CA1CA2CA9
SCHEMBL2871328 0.78 SMN1; SMN2 (0.49) ATICCA12CA2ALDH1A1MAPK1
SCHEMBL11318240 0.77 ALOX5 (0.66) CA12CA1CA2CA9MAPK1
SCHEMBL29540025 0.70 THRB (0.55) ATICCA12CA2ALDH1A1MAPK1
SCHEMBL16566668 0.70 THRB (0.55) ATICCA12CA2ALDH1A1MAPK1
SCHEMBL29366607 0.69 THRB (1.00) ATICCA12CA2ALDH1A1MAPK1
SCHEMBL29568770 0.68 THRB (0.86) ATICCA12CA2ALDH1A1MAPK1
SCHEMBL29637843 0.68 THRB (0.85) ATICALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL11318249 0.68 CYP2C19 (0.76) ATICCA12CA1CA2CA9
SCHEMBL11328169 0.67 CYP2C19 (0.88) CA12CA1CA2CA9MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092273-A1 WAX-BASED DRY ERASE INK CRAYOLA LLC (US) 2025-03-20 — — US disclosed
WO-2024262330-A1 METHOD FOR MANUFACTURING OPTICAL LAMINATE 日東電工株式会社 2024-12-26 — — WO disclosed
WO-2024247803-A1 METHOD FOR MANUFACTURING OPTICAL FILM PIECES, AND METHOD FOR CUTTING OPTICAL FILM 日東電工株式会社 2024-12-05 — — WO disclosed
WO-2023200716-A1 HYDROGRAPHIC SHEET FORMED OF A WATER-SOLUBLE FILM PROVIDED WITH NON-AQUEOUS INK OR DYE DECORATION ART CRAYOLA LLC (US) 2023-10-19 — — WO disclosed
WO-2023200714-A1 WATER-SOLUBLE FILM BASED DELIVERY SYSTEMS FOR COLORANTS, GLITTER, AND OTHER CHEMISTRIES CRAYOLA LLC (US) 2023-10-19 — — WO disclosed
US-20230323595-A1 WATER-SOLUBLE FILM BASED DELIVERY SYSTEMS FOR COLORANTS, GLITTER, AND OTHER CHEMISTRIES CRAYOLA LLC (US) 2023-10-12 — — US disclosed
US-20230323051-A1 WATER-SOLUBLE FILM BASED DELIVERY SYSTEMS FOR COLORANTS, GLITTER, AND OTHER ARTISTIC EFFECTS CRAYOLA LLC (US) 2023-10-12 — — US disclosed
WO-2023176632-A1 OPTICAL LAMINATE, LENS, AND DISPLAY METHOD 日東電工株式会社 2023-09-21 — — WO disclosed
WO-2022210596-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, COLOR FILTER, AND MEMBER FOR DISPLAY DEVICE OR DISPLAY DEVICE 株式会社ダイセル 2022-10-06 — — WO disclosed
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