SCHEMBL11413277

SCHEMBL11413277

Nc1c(C(=O)O)cc(Nc2ccccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 6/20 0.72
▸ P2RY12 Q9H244 5/20 0.72
▸ MAPT P10636 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ THRB P10828 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ MCL1 Q07820 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ P2RY2 P41231 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ FABP4 P15090 2/20 0.52
▸ FABP3 P05413 1/20 0.52
▸ FABP5 Q01469 1/20 0.52

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
SCHEMBL11593716 0.88 P2RY12 (0.73) P2RY4P2RY12MAPTKMT2AMEN1
SCHEMBL13214031 0.86 P2RY4 (0.79) P2RY4P2RY12MAPK1P2RY2ALDH1A1
SCHEMBL3028638 0.85 P2RY4 (0.78) P2RY4P2RY12MAPK1P2RY2ALDH1A1
SCHEMBL3028637 0.84 P2RY4 (1.00) P2RY4P2RY12P2RY2CDK2P2RY1
SCHEMBL13213994 0.84 P2RY12 (0.75) P2RY4P2RY12MAPTKMT2AMEN1
SCHEMBL11062189 0.83 MAPT (0.67) P2RY4P2RY12MAPTKMT2AMEN1
SCHEMBL9116517 0.80 P2RY12 (0.64) P2RY4P2RY12MAPTKMT2AMEN1
SCHEMBL8444248 0.79 ALDH1A1 (0.68) P2RY4P2RY12MAPTKMT2AMEN1
SCHEMBL2257829 0.78 MAPT (1.00) P2RY4P2RY12MAPTKMT2AMEN1
SCHEMBL29967042 0.78 FABP4 (0.63) P2RY4P2RY12MAPTKMT2AMEN1

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-4187238-A BLUE DYE FOR POLYESTERS CIBA-GEIGY CORPORATION (US) 1980-02-05 — — US disclosed
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