SCHEMBL11593716

SCHEMBL11593716

Nc1c(C(=O)O)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 9/20 0.73
▸ MEN1 O00255 3/20 0.65
▸ MAPT P10636 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ THRB P10828 2/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ USP2 O75604 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ MCL1 Q07820 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ P2RY4 P51582 9/20 0.62
▸ P2RY2 P41231 5/20 0.62
▸ P2RY6 Q15077 4/20 0.62
▸ CDK2 P24941 2/20 0.62
▸ P2RY1 P47900 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ RECQL P46063 1/20 0.58

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
SCHEMBL13213994 0.93 P2RY12 (0.75) P2RY12MEN1MAPTKMT2ATHRB
SCHEMBL11588009 0.89 P2RY12 (0.61) P2RY12MEN1MAPTKMT2ATHRB
SCHEMBL9116517 0.89 P2RY12 (0.64) P2RY12MEN1MAPTKMT2ATHRB
SCHEMBL11413277 0.88 P2RY4 (0.72) P2RY12MEN1MAPTKMT2ATHRB
SCHEMBL13213992 0.88 P2RY12 (0.81) P2RY12MAPK1USP2P2RY4P2RY2
SCHEMBL3032271 0.87 P2RY12 (0.80) P2RY12MAPK1USP2P2RY4P2RY2
SCHEMBL3032279 0.87 P2RY12 (0.80) P2RY12MAPK1USP2P2RY4P2RY2
SCHEMBL791041 0.86 P2RY12 (0.61) P2RY12MEN1MAPTKMT2ATHRB
SCHEMBL31060938 0.86 P2RY12 (1.00) P2RY12P2RY4P2RY2P2RY6CDK2
SCHEMBL791007 0.85 P2RY12 (0.60) P2RY12MEN1MAPTKMT2ATHRB

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-4128395-A Transfer printing with carboxylic dyes IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-05 — — US disclosed
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