SCHEMBL7445263

SCHEMBL7445263

Cc1c(OC(=O)N(CCC(=O)O)c2ccccc2)ccc2[nH]c(CN(C)c3ccc(C(=N)N)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.38
TMPRSS15 P98073 11/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 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
SCHEMBL7443452 0.92 TMPRSS15 (0.36) F2TMPRSS15ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7446256 0.92 SMN1; SMN2 (0.38) F2TMPRSS15ITGB3ITGA2B
SCHEMBL7444769 0.88 F2 (0.40) F2TMPRSS15ITGB3ITGA2B
SCHEMBL7453241 0.87 F2 (0.48) F2
Hydrochloric Acid SCHEMBL7442314 0.87 F2 (0.39) F2TMPRSS15ITGB3ITGA2B
SCHEMBL7443815 0.86 F2 (0.35) F2TMPRSS15
SCHEMBL7445456 0.85 F2 (0.41) F2TMPRSS15ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7448332 0.85 NQO2 (0.34) TMPRSS15
SCHEMBL7446295 0.84 KLK1 (0.44) F2
SCHEMBL7445168 0.84 F2 (0.51) F2

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
JP-3343359-B2 2002-11-11 JP claimed
JP-2001509815-A 2001-07-24 JP claimed
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP claimed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO claimed
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed