SCHEMBL2311541

SCHEMBL2311541

O=CC(Br)c1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 4/20 0.39
ALDH1A1 P00352 6/20 0.35
TSHR P16473 5/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ERN1 O75460 1/20 0.34
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL21495096 0.84 TP53 (0.47) TDP1TP53ALDH1A1TSHRHSD17B10
SCHEMBL1961187 0.84 TP53 (0.47) TDP1TP53ALDH1A1TSHRHSD17B10
SCHEMBL6472594 0.82 PSEN1 (0.35) ALDH1A1
SCHEMBL26664767 0.82 TDP1 (0.35) TDP1HSD17B10ERN1
SCHEMBL6443959 0.82 TDP1 (0.35) TDP1HSD17B10ERN1
SCHEMBL9901514 0.81 ALKBH3 (0.35) ALDH1A1MAPTLMNAMEN1POLB
SCHEMBL6446720 0.81 CYP3A4 (0.39) TDP1TP53ALDH1A1TSHRCYP3A4
SCHEMBL20551400 0.77 MDM2 (0.38) TDP1TP53CYP3A4LMNAHTT
SCHEMBL8805467 0.77 TSHR (0.43) TDP1TP53ALDH1A1TSHRHSD17B10
SCHEMBL20551547 0.77 HTT (0.42) TDP1ALDH1A1HTTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO disclosed
EP-3080127-A1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
WO-2015086499-A1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
WO-2013003298-A2 INHIBITORS OF PDE10 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-03 WO disclosed
EP-2348860-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2011-08-03 EP disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO disclosed
EP-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
EP-2056817-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM Bayer HealthCare AG (DE) 2009-05-13 EP disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
WO-2008025509-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 WO disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed