SCHEMBL28442153

SCHEMBL28442153

Nc1c(S(=O)(=O)O)cc(Nc2cc(S(=O)(=O)CCO[SH](=O)=O)ccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 8/20 0.54
▸ P2RY12 Q9H244 7/20 0.54
▸ GNG2 P59768 5/20 0.48
▸ GNB1 P62873 5/20 0.48
▸ P2RY2 P41231 4/20 0.48
▸ PHLPP2 Q6ZVD8 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CDK2 P24941 2/20 0.43
▸ P2RY1 P47900 2/20 0.43
▸ P2RY6 Q15077 2/20 0.43

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
SCHEMBL29389464 0.91 P2RY4 (0.58) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL13880596 0.91 P2RY4 (0.58) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL13214031 0.78 P2RY4 (0.79) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL13214025 0.78 P2RY4 (0.81) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL3028638 0.77 P2RY4 (0.78) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL2686350 0.77 GNG2 (0.68) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL13287378 0.77 P2RY4 (0.58) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL3025537 0.77 P2RY4 (0.80) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL2687745 0.76 GNG2 (0.71) P2RY4P2RY12GNG2GNB1P2RY2
SCHEMBL30870099 0.76 GNG2 (0.71) P2RY4P2RY12GNG2GNB1P2RY2

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
CN-107519748-B Flash mixer 徐州工程学院 2020-08-25 — — CN disclosed
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