SCHEMBL7305310

SCHEMBL7305310

N=C(N)Nc1ccc(NC(=O)c2ccc3c(c2)CC(CC(=O)O)CO3)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.78
ITGA2B P08514 16/20 0.78
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
PLAU P00749 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7301286 0.95 ITGB3 (0.86) ITGB3ITGA2BNPC1CASP3RAB9A
SCHEMBL7309708 0.94 ITGB3 (0.88) ITGB3ITGA2BNPC1CASP3RAB9A
SCHEMBL7299540 0.88 ITGB3 (1.00) ITGB3ITGA2BPLAU
SCHEMBL7300817 0.87 ITGB3 (0.60) ITGB3ITGA2BNPC1CASP3RAB9A
Hydrochloric Acid SCHEMBL7315319 0.87 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7306491 0.86 ITGB3 (0.59) ITGB3ITGA2BNPC1CASP3RAB9A
SCHEMBL7433090 0.84 ITGB3 (0.76) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7399281 0.84 ITGB3 (0.76) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7393696 0.84 ITGB3 (0.90) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7395124 0.83 ITGB3 (0.73) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed