SCHEMBL8696533

SCHEMBL8696533

Nc1c(S(=O)(=O)F)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 10/20 0.76
▸ P2RY12 Q9H244 7/20 0.76
▸ P2RY2 P41231 6/20 0.76
▸ P2RY6 Q15077 4/20 0.76
▸ CDK2 P24941 2/20 0.76
▸ P2RY1 P47900 2/20 0.76
▸ GNG2 P59768 4/20 0.66
▸ GNB1 P62873 4/20 0.66
▸ MET P08581 2/20 0.65
▸ HGF P14210 2/20 0.65
▸ ENTPD1 P49961 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ HIF1A Q16665 1/20 0.62

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
SCHEMBL8698317 0.91 P2RY12 (0.70) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL29357302 0.86 GNG2 (0.85) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL8698380 0.86 P2RY4 (0.76) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL791019 0.86 GNG2 (0.85) P2RY4P2RY12P2RY2P2RY6CDK2
Acid Blue 25 SCHEMBL29355038 0.85 P2RY4 (1.00) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL790823 0.85 GNG2 (0.83) P2RY4P2RY12P2RY2P2RY6CDK2
Acid Blue 25 SCHEMBL790822 0.85 P2RY4 (1.00) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL13213975 0.84 GNG2 (0.86) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL16656454 0.83 P2RY4 (0.71) P2RY4P2RY12P2RY2P2RY6CDK2
SCHEMBL13214010 0.83 GNG2 (0.78) P2RY4P2RY12P2RY2P2RY6CDK2

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
US-5759211-A COLORING SYNTHETIC TEXTILE OR FIBER BLEND ZENECA LIMITED (GB) 1998-06-02 — — US disclosed
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