SCHEMBL694991

SCHEMBL694991

FC(F)(F)c1ccc2c(-c3ccccc3)csc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.44
MAOB P27338 2/20 0.43
ALOX5 P09917 1/20 0.42
MAOA P21397 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
METAP2 P50579 1/20 0.39
PTGER1 P34995 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
G6PD P11413 1/20 0.38
TLR9 Q9NR96 1/20 0.38
BACE1 P56817 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
NPBWR1 P48145 1/20 0.37
CNR1 P21554 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 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
SCHEMBL507807 0.75 LSS (0.39) MAOBALOX5PTGDR2CYP19A1
SCHEMBL9565780 0.75 MAPK1 (0.42) ALOX5CYP1A2
SCHEMBL16280057 0.74 EPHX2 (0.39) KIF11MAOBMAOAPPARDPPARA
SCHEMBL31092063 0.73 CYP2A6 (0.52) MAOBCYP1A2CYP2C9
SCHEMBL5848721 0.73 CYP2A6 (0.52) MAOBCYP1A2CYP2C9
SCHEMBL25208984 0.73 ERN1 (0.41) MAOBALOX5CYP1A2CYP2C9BACE1
SCHEMBL699328 0.73 CYP2A6 (0.42) KIF11PPARDPPARA
SCHEMBL28176097 0.73 PDE2A (0.39) KIF11PPARDPPARA
SCHEMBL8050430 0.73 EPHX2 (0.45) KIF11PPARDPPARABACE1
SCHEMBL1874309 0.72 KIF11 (0.54) KIF11PTGDR2METAP2BACE1NPBWR1

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-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed