SCHEMBL7443452

SCHEMBL7443452

Cc1c(OC(=O)N(CCC(=O)O)c2cccnc2)ccc2[nH]c(CN(C)c3ccc(C(=N)N)cc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 12/20 0.36
HDAC6 Q9UBN7 1/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
F2 P00734 4/20 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
SCHEMBL7445263 0.92 F2 (0.38) TMPRSS15ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7448332 0.92 NQO2 (0.34) TMPRSS15HDAC6
SCHEMBL7448557 0.88 F2 (0.42) F2
Hydrochloric Acid SCHEMBL7446256 0.85 SMN1; SMN2 (0.38) TMPRSS15ITGB3ITGA2BF2
SCHEMBL7443815 0.82 F2 (0.35) TMPRSS15HDAC6F2
Hydrochloric Acid SCHEMBL7445360 0.81 NQO2 (0.42) F2
SCHEMBL7444769 0.81 F2 (0.40) TMPRSS15HDAC6ITGB3ITGA2BF2
SCHEMBL7453241 0.80 F2 (0.48) F2
Hydrochloric Acid SCHEMBL7442314 0.80 F2 (0.39) TMPRSS15HDAC6ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7445265 0.80 NQO2 (0.44) TMPRSS15HDAC6ITGB3ITGA2BF2

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
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