SCHEMBL8072322

SCHEMBL8072322

CCOC(=O)CC(NC(=O)CCC(=O)Nc1ccc(C=NN)cc1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL6983705 0.88 ITGB3 (0.47) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7353182 0.85 ITGB3 (0.51) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL6981913 0.84 ITGB3 (0.63) ITGB3ITGA2BGAA
SCHEMBL7348958 0.82 ITGB3 (0.51) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7346612 0.81 ITGB3 (0.50) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7351423 0.80 ITGB3 (0.56) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL6981928 0.80 RAB9A (0.45) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL7349536 0.79 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7346544 0.79 ITGB3 (0.50) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7534287 0.78 ITGB3 (0.70) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A

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
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
EP-0630366-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1994-12-28 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
WO-1993008164-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-04-29 WO disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed