SCHEMBL694387

SCHEMBL694387

Cc1cc(-c2cc3c[c]ccc3[nH]2)ccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
CYP1A1 P04798 1/20 0.37
S1PR1 P21453 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
IDH1 O75874 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK5 Q00535 1/20 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
SCHEMBL694236 0.83 NPC1 (0.51) CYP19A1KDM4EGAANPC1RAB9A
SCHEMBL695252 0.83 AR (0.44) KDM4EGAAIDH1NPC1RAB9A
SCHEMBL694490 0.81 CYP1A1 (0.42) CYP19A1CYP1A1KDM4ECYP11B1CYP11B2
SCHEMBL695754 0.78 CYP19A1 (0.56) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL695270 0.74 CYP19A1 (0.56) CYP19A1NPC1RAB9AMAOBVCP
SCHEMBL695257 0.74 CYP19A1 (0.41) CYP19A1KDM4EGAANPC1RAB9A
SCHEMBL694550 0.72 HPGDS (0.44) CYP19A1CYP1A1KDM4ENPC1RAB9A
SCHEMBL694000 0.72 CYP1A1 (0.47) CYP19A1CYP1A1KDM4ENPC1RAB9A
SCHEMBL695805 0.71 MAPK1 (0.38) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL695581 0.71 CYP1A1 (0.40) CYP19A1CYP1A1EGLN2KDM4ENPC1

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 8 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
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