SCHEMBL29558951

SCHEMBL29558951

O=C([O-])Cc1ccc2ccccc2n1.[Na+]

nearest known ligand 0.61

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
▸ CYSLTR1 known ✓ Q9Y271 3/20 0.45
▸ ALOX5 known ✓ P09917 1/20 0.44
▸ CYP1A2 P05177 1/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ GPBAR1 Q8TDU6 3/20 0.47
▸ MGAM O43451 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ PRNP P04156 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ CYSLTR2 Q9NS75 2/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44

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
SCHEMBL14805320 0.83 CYP1A2 (0.67) CYP1A2NPSR1RXFP1GPBAR1MGAM
SCHEMBL28635312 0.82 CYP1A2 (0.61) CYP1A2RXFP1GPBAR1MGAMALDH1A1
SCHEMBL140815 0.81 CYP1A2 (0.65) CYP1A2NPSR1RXFP1GPBAR1MGAM
SCHEMBL29877127 0.80 CYP1A2 (0.63) CYP1A2NPSR1GPBAR1MGAMALDH1A1
SCHEMBL4623799 0.80 CYP1A2 (0.68) CYP1A2NPSR1GPBAR1MGAMALDH1A1
SCHEMBL5503169 0.80 CYP1A2 (0.63) CYP1A2NPSR1GPBAR1MGAMALDH1A1
SCHEMBL7759109 0.80 CYP1A2 (0.63) CYP1A2NPSR1RXFP1GPBAR1MGAM
SCHEMBL17372711 0.77 CYP1A2 (0.64) CYP1A2NPSR1GPBAR1MGAMALDH1A1
SCHEMBL18530698 0.77 HDAC1 (0.61) CYP1A2GPBAR1MGAMALDH1A1MAPT
SCHEMBL30436901 0.77 CYP1A2 (0.59) CYP1A2NPSR1GPBAR1MGAMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240324255-A1 SOLAR CELL PANASONIC HOLDINGS CORPORATION (JP) 2024-09-26 — — US claimed
CN-116713121-A Flotation reagent combination for improving recovery of associated gold, silver, platinum and palladium minerals in chalcopyrite 商洛学院 2023-09-08 — — CN claimed
US-20240324255-A1 SOLAR CELL PANASONIC HOLDINGS CORPORATION (JP) 2024-09-26 — — US disclosed
EP-4001888-B1 BIOLOGICAL TISSUE STAINING REAGENT, BIOLOGICAL TISSUE STAINING KIT AND BIOLOGICAL TISSUE STAINING METHOD CUBICSTARS INC (JP) 2023-10-04 — — EP disclosed
CN-116713121-A Flotation reagent combination for improving recovery of associated gold, silver, platinum and palladium minerals in chalcopyrite 商洛学院 2023-09-08 — — CN disclosed
WO-2023106042-A1 SOLAR CELL パナソニックホールディングス株式会社 2023-06-15 — — WO disclosed
US-20220326125-A1 BIOLOGICAL TISSUE STAINING REAGENT, BIOLOGICAL TISSUE STAINING KIT AND BIOLOGICAL TISSUE STAINING METHOD CUBICSTARS, INC. (JP) 2022-10-13 — — US disclosed
EP-4001888-A1 BIOLOGICAL TISSUE STAINING REAGENT, BIOLOGICAL TISSUE STAINING KIT AND BIOLOGICAL TISSUE STAINING METHOD Cubicstars, Inc. (JP) 2022-05-25 — — EP disclosed
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