SCHEMBL694773

SCHEMBL694773

Clc1ccc(-c2cc3c[c]ccc3[nH]2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
LMNA P02545 1/20 0.36
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 1/20 0.33
IDH1 O75874 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
SCHEMBL694442 0.82 MAPT (0.37) MAPTCYP1A2GSK3BGRM5CDK5
SCHEMBL694875 0.82 CCR1 (0.43) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL695181 0.79 NPSR1 (0.37) KDM4ECASP3CYP1A2
SCHEMBL694241 0.76 LMNA (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL4278217 0.75 METAP2 (0.40) CYP19A1GSK3BCDK5CDK5R1
SCHEMBL695324 0.71 CCR1 (0.46) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL695289 0.71 GSK3B (0.44) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL694760 0.70 ITK (0.38) NPC1RAB9ACYP19A1GSK3BAURKA
SCHEMBL694912 0.70 ITK (0.31) MAPT
SCHEMBL693900 0.69 CYP19A1 (0.44) KDM4EMEN1NPC1ALDH1A1MAPT

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-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