SCHEMBL11601364

SCHEMBL11601364

Nc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2Cl)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.67
▸ GNB1 P62873 5/20 0.67
▸ P2RY4 P51582 7/20 0.62
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ ALOX15 P16050 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ P2RY12 Q9H244 5/20 0.59
▸ PHLPP2 Q6ZVD8 2/20 0.58
▸ P2RY2 P41231 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ HPGDS O60760 1/20 0.56
▸ CHAT P28329 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ APEX1 P27695 1/20 0.54

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
SCHEMBL13214024 0.88 P2RY4 (0.70) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL3032970 0.87 P2RY4 (0.68) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL3363896 0.86 GNG2 (0.82) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL13214099 0.85 GNG2 (0.80) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL3025546 0.85 GNG2 (0.80) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL13214025 0.84 P2RY4 (0.81) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL1592210 0.84 GNG2 (0.76) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL790523 0.84 GNG2 (0.79) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL3025537 0.84 P2RY4 (0.80) GNG2GNB1P2RY4CYP1A2CYP2C9
SCHEMBL13214102 0.83 GNG2 (0.73) GNG2GNB1P2RY4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29577-E Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 — — US disclosed
US-3963763-A Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1976-06-15 — — US disclosed
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