SCHEMBL5320765

SCHEMBL5320765

Clc1ccc(-c2cc[c]cc2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.35
S100A4 P26447 2/20 0.34
NPBWR1 P48145 1/20 0.32
PPOX P50336 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SRD5A2 P31213 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL30805707 0.83 AHR (0.45) AHRS100A4PPOXALDH1A1MAPK1
SCHEMBL21031787 0.83 AHR (0.45) AHRS100A4PPOXALDH1A1MAPK1
SCHEMBL2753221 0.79 ALOX15 (0.38) AHRS100A4ALDH1A1MAPK1CA1
SCHEMBL26805882 0.79 GCGR (0.41) AHRS100A4ALDH1A1MAPK1SRD5A2
SCHEMBL571071 0.79 ALDH1A1 (0.54) S100A4ALDH1A1MAPK1TSHRTP53
SCHEMBL434492 0.79 AHR (0.57) AHRALDH1A1SRD5A2TSHRTP53
SCHEMBL20599056 0.78 S100A4 (0.46) AHRS100A4NPBWR1PPOXALDH1A1
SCHEMBL24810017 0.76 GCGR (0.46) MAPK1TSHRTP53
SCHEMBL15622693 0.76 TSHR (0.46) AHRS100A4ALDH1A1MAPK1TSHR
SCHEMBL20023629 0.76 CYP1A2 (0.54) S100A4ALDH1A1MAPK1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed