SCHEMBL695765

SCHEMBL695765

Fc1ccc(-c2nc3c[c]ccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 4/20 0.53
PKM P14618 1/20 0.53
NR4A2 P43354 1/20 0.47
CHEK2 O96017 3/20 0.45
TCF4 P15884 1/20 0.44
CTNNB1 P35222 1/20 0.44
GAA P10253 2/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
GUSB P08236 1/20 0.44
MAPK13 O15264 1/20 0.42
PRKD3 O94806 1/20 0.42

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
SCHEMBL9033788 0.84 NPC1 (0.53) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL694906 0.83 NPC1 (0.62) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL704211 0.83 NPBWR1 (0.51) CHEK2TNKSTNKS2TRPV1
SCHEMBL693773 0.83 ALDH1A1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16719495 0.82 ALDH1A1 (0.60) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16719399 0.82 GAA (0.51) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2079577 0.81 RHEB (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9032674 0.79 KDM4E (0.63) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3337878 0.76 NPC1 (1.00) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4373640 0.76 KDM4E (0.69) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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 6 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
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
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed