SCHEMBL7350097

SCHEMBL7350097

CSCCC(CC(=O)O)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.46
ITGA2B P08514 9/20 0.46
PLA2G2A P14555 2/20 0.46
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MIF P14174 1/20 0.34
MME P08473 2/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 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
SCHEMBL7389607 0.86 ITGB3 (0.50) ITGB3ITGA2BPLA2G2AS1PR2S1PR1
SCHEMBL7357417 0.86 ITGB3 (0.46) ITGB3ITGA2BPLA2G2AS1PR2S1PR1
SCHEMBL7378676 0.85 ITGB3 (0.49) ITGB3ITGA2BPLA2G2AALDH1A1SMN1; SMN2
SCHEMBL7350495 0.84 ITGB3 (0.45) ITGB3ITGA2BPLA2G2AS1PR2S1PR1
SCHEMBL7381804 0.82 ITGB3 (0.67) ITGB3ITGA2BPLA2G2AMMECTSG
SCHEMBL7379875 0.82 ITGB3 (0.65) ITGB3ITGA2BPLA2G2AALDH1A1SMN1; SMN2
SCHEMBL7350092 0.82 ITGB3 (0.69) ITGB3ITGA2BPLA2G2A
SCHEMBL7350231 0.81 PLA2G2A (0.68) ITGB3ITGA2BPLA2G2ASMN1; SMN2CTSG
SCHEMBL7348662 0.81 ITGB3 (0.50) ITGB3ITGA2BPLA2G2ASMN1; SMN2CTSG
SCHEMBL7386249 0.80 ITGB3 (0.54) ITGB3ITGA2BPLA2G2AALDH1A1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO claimed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed