SCHEMBL694550

SCHEMBL694550

Cc1ccc(-c2cc3c[c]ccc3[nH]2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
PKM P14618 1/20 0.42
CYP19A1 P11511 2/20 0.41
KIT P10721 2/20 0.39
CYP1A1 P04798 2/20 0.37
TDO2 P48775 1/20 0.37
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35

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
SCHEMBL694207 0.83 LOXL2 (0.47) NPC1RAB9AKITTDO2MAPT
SCHEMBL694621 0.81 CYP19A1 (0.62) HPGDSNPC1RAB9APKMCYP19A1
SCHEMBL695805 0.81 MAPK1 (0.38) NPC1RAB9ACYP19A1MAPTKDM4E
SCHEMBL699731 0.80 PIK3CA (0.38) CYP19A1KITPIK3CDPIK3CAPIK3CB
SCHEMBL694356 0.79 CYP19A1 (0.68) NPC1RAB9ACYP19A1MAPTKDM4E
SCHEMBL693900 0.76 CYP19A1 (0.44) NPC1RAB9ACYP19A1MAPTKDM4E
SCHEMBL694875 0.75 CCR1 (0.43) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL695386 0.74 CYP1A1 (0.45) NPC1RAB9ACYP19A1CYP1A1MAPT
SCHEMBL693863 0.74 CLK1 (0.42) NPC1RAB9ACYP19A1MAPTKDM4E
SCHEMBL694898 0.74 NPC1 (0.63) NPC1RAB9ACYP19A1MAPTKDM4E

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