SCHEMBL695489

SCHEMBL695489

FC(F)(F)c1cccc(-c2cc3c[c]ccc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.47
CDC7 O00311 1/20 0.42
NPY5R Q15761 1/20 0.41
XDH P47989 1/20 0.40
CTSS P25774 2/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL694758 0.84 CCNB2 (0.43) SCN2ANPY5RNPC1RAB9AKDM4E
SCHEMBL694898 0.78 NPC1 (0.63) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL695270 0.75 CYP19A1 (0.56) XDHNPC1RAB9AIDO1PIN1
SCHEMBL694000 0.73 CYP1A1 (0.47) NPY5RNPC1RAB9AKDM4EMEN1
SCHEMBL699731 0.72 PIK3CA (0.38)
SCHEMBL695181 0.72 NPSR1 (0.37) KDM4ECYP1A2NPSR1IDO1
SCHEMBL695278 0.72 F2 (0.43) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL699881 0.72 PIM1 (0.52) SCN2AMAPK13RAF1MAPK9MAPK12
SCHEMBL694916 0.72 CYP1A1 (0.42) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL695386 0.72 CYP1A1 (0.45) MAPK14NPC1RAB9AKDM4EMEN1

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 10 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
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-3197450-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-02 EP disclosed
WO-2016046130-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-31 WO disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed