SCHEMBL7086228

SCHEMBL7086228

Cc1cc(NC(=O)CCC(=O)NCC(C(=O)O)c2cccnn2)ccc1C(=N)N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.39
ITGA2B P08514 9/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6985594 0.83 ITGB3 (0.39) ITGB3ITGA2BPOLBKMT2A
SCHEMBL6980170 0.79 KLK1 (0.39) ITGB3ITGA2BPOLB
SCHEMBL6980649 0.73 ADORA2A (0.41) ITGB3ITGA2BPOLBSMN1; SMN2KMT2A
SCHEMBL9262009 0.73 F7 (0.38) ITGB3ITGA2B
SCHEMBL6979019 0.73 ITGB3 (0.39) ITGB3ITGA2BPOLBSMN1; SMN2MAPK1
SCHEMBL9264866 0.71 F2 (0.42) ITGB3ITGA2B
SCHEMBL8077542 0.70 ITGB3 (0.66) ITGB3ITGA2B
SCHEMBL9558961 0.69 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL6985587 0.67 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7345129 0.66 ITGB3 (0.56) ITGB3ITGA2B

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