SCHEMBL29234761

SCHEMBL29234761

Nc1c(S(=O)(=O)OS(=O)(=O)c2cc(Nc3cccc4ccccc34)c3c(c2N)C(=O)c2ccccc2C3=O)cc(Nc2ccc(F)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 3/20 0.68
▸ P2RY4 P51582 11/20 0.62
▸ P2RY12 Q9H244 3/20 0.55
▸ ENTPD1 P49961 1/20 0.46
▸ ENTPD2 Q9Y5L3 1/20 0.46

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
SCHEMBL29234762 0.92 P2RY2 (0.69) P2RY2P2RY4P2RY12ENTPD1ENTPD2
SCHEMBL19948045 0.83 P2RY2 (0.81) P2RY2P2RY4P2RY12
SCHEMBL29355096 0.83 P2RY2 (0.81) P2RY2P2RY4P2RY12
SCHEMBL13214120 0.78 GNG2 (0.66) P2RY2P2RY4P2RY12ENTPD1ENTPD2
SCHEMBL29354313 0.78 GNG2 (0.66) P2RY2P2RY4P2RY12ENTPD1ENTPD2
SCHEMBL792523 0.77 GNG2 (0.65) P2RY2P2RY4P2RY12ENTPD1ENTPD2
SCHEMBL792522 0.75 ENTPD1 (0.78) P2RY2P2RY4P2RY12ENTPD1ENTPD2
SCHEMBL29502819 0.75 ENTPD1 (0.78) P2RY2P2RY4P2RY12ENTPD1ENTPD2
SCHEMBL13214031 0.74 P2RY4 (0.79) P2RY2P2RY4P2RY12
SCHEMBL11425002 0.73 GNG2 (0.68) P2RY2P2RY4P2RY12

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
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