SCHEMBL7348953

SCHEMBL7348953

N=C(N)c1ccc(CCCCC(=O)NC(CC(=O)O)CS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.73
ITGA2B P08514 15/20 0.73
PLA2G2A P14555 2/20 0.48
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42

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
SCHEMBL7351137 0.91 ITGB3 (0.63) ITGB3ITGA2BPLA2G2A
SCHEMBL7353684 0.91 ITGB3 (0.63) ITGB3ITGA2BPLA2G2A
SCHEMBL7352327 0.89 ITGB3 (0.60) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL8971449 0.88 ITGB3 (0.57) ITGB3ITGA2BPLA2G2AHDAC1HDAC8
SCHEMBL7348253 0.87 ITGB3 (0.66) ITGB3ITGA2BPLA2G2APRSS1TMPRSS15
SCHEMBL7381387 0.84 ITGB3 (0.84) ITGB3ITGA2BPLA2G2A
SCHEMBL7381799 0.84 ITGB3 (1.00) ITGB3ITGA2BPLA2G2A
SCHEMBL7387468 0.84 ITGB3 (0.84) ITGB3ITGA2BPLA2G2A
SCHEMBL7347539 0.84 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7348963 0.83 ITGB3 (0.50) ITGB3ITGA2BPLA2G2AHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US claimed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US claimed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO claimed
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US disclosed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed