SCHEMBL7403444

SCHEMBL7403444

CC(C)(C)C(C(=O)O)n1ccn(-c2ccc(C(=N)N)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.39
ITGA2B P08514 8/20 0.39
NQO2 P16083 3/20 0.36
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
F2 P00734 6/20 0.35
PRSS1 P07477 5/20 0.35
PRSS2 P07478 4/20 0.35
PRSS3 P35030 4/20 0.35
TMPRSS6 Q8IU80 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
PLG P00747 1/20 0.35
C1S P09871 1/20 0.35
F10 P00742 4/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL7401067 0.79 PKM (0.37)
SCHEMBL8539205 0.78
SCHEMBL7398815 0.72 F10 (0.45) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7275049 0.71 ITGB3 (0.45) ITGB3ITGA2BCPN1CPB2F2
SCHEMBL7272904 0.71 TPH1 (0.50) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7283838 0.70 PPARG (0.44) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7274415 0.70 ITGB3 (0.42) ITGB3ITGA2BCPN1CPB2F2
SCHEMBL7403166 0.69 ITGB3 (0.45) ITGB3ITGA2BCPN1CPB2F2
Hydrochloric Acid SCHEMBL7404704 0.69 ALOX15 (0.44) ITGB3ITGA2BCPN1CPB2F2
SCHEMBL7276107 0.68 ITGB3 (0.67) ITGB3ITGA2BF2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed