SCHEMBL7354033

SCHEMBL7354033

CC(C)OC(=O)C(CCS(=O)(=O)c1ccccn1)NC(=O)CCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
F10 P00742 7/20 0.39
F2 P00734 7/20 0.39
PRSS1 P07477 6/20 0.39
HDAC6 Q9UBN7 4/20 0.36
HDAC1 Q13547 2/20 0.36
TMPRSS15 P98073 1/20 0.35

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
SCHEMBL7354525 0.91 ITGB3 (0.46) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7354037 0.82 ITGB3 (0.51) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7354459 0.81 ITGB3 (0.48) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7352921 0.77 ITGB3 (0.51) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7354534 0.76 ITGB3 (0.47) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7348253 0.76 ITGB3 (0.66) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL7388152 0.71 ITGB3 (0.56) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7381126 0.70 ITGB3 (0.74) ITGB3ITGA2BF10PRSS1TMPRSS15
SCHEMBL9435255 0.67 ITGB3 (0.61) ITGB3ITGA2BF10F2PRSS1
SCHEMBL8972228 0.66 ITGB3 (0.54) ITGB3ITGA2BF10F2PRSS1

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
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