SCHEMBL29234762

SCHEMBL29234762

Nc1c(S(=O)(=O)O)cc(Nc2ccc(F)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O.Nc1c(S(=O)(=O)O)cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 1/20 0.69
▸ P2RY4 P51582 7/20 0.63
▸ P2RY12 Q9H244 2/20 0.56
▸ GNG2 P59768 4/20 0.52
▸ GNB1 P62873 4/20 0.52
▸ PHLPP2 Q6ZVD8 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ENTPD1 P49961 1/20 0.49
▸ ENTPD2 Q9Y5L3 1/20 0.49
▸ HPGDS O60760 1/20 0.47

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
SCHEMBL29234761 0.92 P2RY2 (0.68) P2RY2P2RY4P2RY12ENTPD1ENTPD2
SCHEMBL19948045 0.92 P2RY2 (0.81) P2RY2P2RY4P2RY12GNG2GNB1
SCHEMBL29355096 0.92 P2RY2 (0.81) P2RY2P2RY4P2RY12GNG2GNB1
SCHEMBL29354313 0.87 GNG2 (0.66) P2RY2P2RY4P2RY12GNG2GNB1
SCHEMBL13214120 0.87 GNG2 (0.66) P2RY2P2RY4P2RY12GNG2GNB1
SCHEMBL792523 0.86 GNG2 (0.65) P2RY2P2RY4P2RY12GNG2GNB1
SCHEMBL13214031 0.82 P2RY4 (0.79) P2RY2P2RY4P2RY12GNG2GNB1
SCHEMBL11425002 0.82 GNG2 (0.68) P2RY2P2RY4P2RY12GNG2GNB1
SCHEMBL3028638 0.81 P2RY4 (0.78) P2RY2P2RY4P2RY12GNG2GNB1
SCHEMBL13214024 0.81 P2RY4 (0.70) P2RY2P2RY4P2RY12GNG2GNB1

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-112888696-B Exonuclease inhibitors and methods of use thereof 德琪医疗有限公司 2024-04-16 — — CN disclosed
Send feedback