SCHEMBL14980644

SCHEMBL14980644

NC(CS)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.42
ANPEP P15144 2/20 0.39
KDM1A O60341 1/20 0.39
ENPEP Q07075 1/20 0.39
SLC7A5 Q01650 2/20 0.38
FFAR1 O14842 1/20 0.36
DAO P14920 1/20 0.35
PDE2A O00408 1/20 0.34

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
SCHEMBL14980642 0.86 ANPEP (0.39) ANPEPENPEPPDE2A
SCHEMBL14980670 0.84 KIF11 (0.43) KIF11KDM1ASLC7A5FFAR1DAO
SCHEMBL16649703 0.84 SLC7A5 (0.45) KIF11KDM1ASLC7A5FFAR1DAO
SCHEMBL4020708 0.83 KIF11 (0.42) KIF11KDM1ASLC7A5FFAR1PDE2A
SCHEMBL15157447 0.83 KIF11 (0.42) KIF11KDM1ASLC7A5FFAR1PDE2A
SCHEMBL15157706 0.83 KIF11 (0.42) KIF11KDM1ASLC7A5FFAR1PDE2A
SCHEMBL14981124 0.81 ANPEP (0.38) ANPEPENPEPDAOPDE2A
SCHEMBL12497284 0.80 KIF11 (0.44) KIF11KDM1ASLC7A5FFAR1PDE2A
SCHEMBL12497573 0.80 KIF11 (0.44) KIF11KDM1ASLC7A5FFAR1PDE2A
SCHEMBL15512187 0.80 KIF11 (0.44) KIF11KDM1ASLC7A5FFAR1PDE2A

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-2634191-A1 Process for preparing derivatives of thienopyrimidinedione Glenmark Pharmaceuticals S.A. (CH) 2013-09-04 EP disclosed
EP-2411395-B1 FUROPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed