SCHEMBL29482552

SCHEMBL29482552

Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c([O-])ccc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)O)c56)c(C)c4)cc3C)cc2)cc1.[Na+].[Na+]

nearest known ligand 0.78

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
▸ THRB known ✓ P10828 2/20 0.78
▸ CA12 known ✓ O43570 1/20 0.35
▸ CA2 known ✓ P00918 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.78
▸ HIF1A Q16665 2/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ ALOX15 P16050 2/20 0.78
▸ MAPK1 P28482 2/20 0.78
▸ RECQL P46063 2/20 0.78
▸ HSD17B10 Q99714 2/20 0.78
▸ ALOX12 P18054 1/20 0.78
▸ SMN1; SMN2 Q16637 1/20 0.78
▸ TDP1 Q9NUW8 1/20 0.78
▸ PTPN1 P18031 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 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
SCHEMBL29678237 0.87 ALDH1A1 (0.59) ALDH1A1HIF1ACYP3A4THRBALOX15
SCHEMBL29366607 0.87 THRB (1.00) ALDH1A1HIF1ACYP3A4THRBALOX15
SCHEMBL29637843 0.80 THRB (0.85) ALDH1A1HIF1ACYP3A4THRBALOX15
SCHEMBL29568770 0.79 THRB (0.86) ALDH1A1HIF1ACYP3A4THRBALOX15
Orange G SCHEMBL28776597 0.74 APP (0.68) ALDH1A1HIF1ACYP3A4THRBALOX15
SCHEMBL29390387 0.74 MAPK1 (0.77) ALDH1A1HIF1ACYP3A4THRBALOX15
SCHEMBL18084213 0.72 ALDH1A1 (0.60) ALDH1A1HIF1ACYP3A4THRBALOX15
SCHEMBL31069683 0.71 THRB (0.49) ALDH1A1HIF1ACYP3A4THRBALOX15
SCHEMBL2859661 0.69 ALDH1A1 (0.55) ALDH1A1HIF1ACYP3A4THRBALOX15
SCHEMBL13875770 0.69 ALDH1A1 (0.47) ALDH1A1HIF1ACYP3A4THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022044972-A1 COLORING COMPOSITION, CURED FILM, COLOR FILTER, AND DISPLAY DEVICE 富士フイルム株式会社 2022-03-03 — — WO disclosed
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