SCHEMBL694582

SCHEMBL694582

Fc1ccc(-c2cc3c[c]ccc3[nH]2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
CYP1A1 P04798 2/20 0.39
MAPT P10636 2/20 0.37
KIT P10721 2/20 0.36
FFAR1 O14842 2/20 0.36
PPARG P37231 1/20 0.36
ITK Q08881 2/20 0.34
HPN P05981 1/20 0.33
AMY1A P0DUB6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
VCP P55072 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL693687 0.88 CYP1A1 (0.42) MEN1ALDH1A1HPGDKMT2ATHRB
SCHEMBL695386 0.79 CYP1A1 (0.45) MEN1ALDH1A1HPGDKMT2ACYP1A1
SCHEMBL694916 0.76 CYP1A1 (0.42) MEN1ALDH1A1HPGDKMT2ACYP1A1
SCHEMBL695245 0.74 CYP1A1 (0.38) MEN1ALDH1A1HPGDKMT2ACYP1A1
SCHEMBL694000 0.73 CYP1A1 (0.47) MEN1ALDH1A1HPGDKMT2ACYP1A1
SCHEMBL694442 0.73 MAPT (0.37) CYP1A1MAPTITK
SCHEMBL436101 0.72 IDO1 (0.38) MEN1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL23298986 0.72 ALDH1A1 (0.62) MEN1ALDH1A1HPGDKMT2ATHRB
SCHEMBL694912 0.72 ITK (0.31) CYP1A1MAPTITK
SCHEMBL4467591 0.70

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-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
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
WO-2010124108-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-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
EP-2421848-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