SCHEMBL694886

SCHEMBL694886

Cc1[c]cc2cc(-c3ccc(F)cc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
NPY5R Q15761 1/20 0.39
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37

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
SCHEMBL694967 0.83 CTSV (0.44) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL694976 0.82 KDM4E (0.44) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL695341 0.77 ITK (0.56) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4568270 0.75 CYP1A1 (0.52) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL18470546 0.73 CYP1A1 (0.57) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL695386 0.73 CYP1A1 (0.45) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4568304 0.73 CYP1A1 (0.54) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL16720322 0.72 CTSV (0.43) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL30869753 0.72 CYP1A1 (0.68) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4568292 0.71 CYP1A1 (0.51) CYP1A1MEN1KMT2AKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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