SCHEMBL6983705

SCHEMBL6983705

NN=Cc1ccc(NC(=O)CCC(=O)NC(CC(=O)O)c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.47
ITGA2B P08514 14/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8072322 0.88 ITGB3 (0.44) ITGB3ITGA2BSMN1; SMN2KMT2AMEN1
SCHEMBL7385984 0.84 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2
SCHEMBL7353558 0.84 ITGB3 (0.65) ITGB3ITGA2BPOLBKMT2AMEN1
SCHEMBL6983683 0.81 ITGB3 (0.71) ITGB3ITGA2B
SCHEMBL7346039 0.80 ITGB3 (0.50) ITGB3ITGA2BPOLBKMT2AHTT
SCHEMBL6985451 0.80 ITGB3 (0.47) ITGB3ITGA2BPOLBKMT2AMEN1
SCHEMBL7345488 0.80 ITGB3 (0.54) ITGB3ITGA2BPOLBKMT2AMEN1
SCHEMBL7348197 0.78 ITGB3 (0.63) ITGB3ITGA2BPOLBMAPT
SCHEMBL8906494 0.78 CA1 (0.46) ITGB3ITGA2BPOLB
SCHEMBL8906500 0.78 CA1 (0.46) ITGB3ITGA2BPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed