SCHEMBL1869613

SCHEMBL1869613

COC(=O)C1Cc2c(Br)cccc2CN1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE5A O76074 2/20 0.45
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 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
SCHEMBL16271252 1.00 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL31651844 1.00 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32676935 1.00 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32676882 1.00 KDM4E (0.52) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL29570147 0.99 KDM4E (0.51) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL28486645 0.99 KDM4E (0.51) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL28609282 0.89 KDM4E (0.49) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32677091 0.84 KDM4E (0.53) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32677208 0.84 KDM4E (0.53) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32676819 0.84 KDM4E (0.53) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9

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
CN-102812014-B The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof DOMAIN THERAPEUTICS (FR) 2016-01-20 CN disclosed
US-8962627-B2 Oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors PRESTWICK CHEMICAL, INC. (FR) 2015-02-24 US disclosed
EP-2493871-B1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2014-09-03 EP disclosed
WO-2011051478-A1 NOVEL OXIME DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2011-05-05 WO disclosed