SCHEMBL1726592

SCHEMBL1726592

Cc1ccc(C(Br)C=O)cc1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
HPGD P15428 1/20 0.31
TYR P14679 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
SCHEMBL2302859 0.84 CHRNA1 (0.34) ALDH1A1TSHR
SCHEMBL16346007 0.84 S1PR1 (0.39) ALDH1A1LMNATSHRTRPA1PTGS1
SCHEMBL15017386 0.82 AKR1C3 (0.35) ALDH1A1TSHRPTGS1
SCHEMBL4621988 0.82 S1PR1 (0.38) ALDH1A1TYR
SCHEMBL16415970 0.80 SLC6A2 (0.43) ALDH1A1LMNATSHR
SCHEMBL16212392 0.80 GAA (0.38) ALDH1A1TSHR
SCHEMBL2556425 0.78 TDP1 (0.39) ALDH1A1LMNATP53TDP1TSHR
SCHEMBL4338371 0.77 ALDH1A1 (0.49) ALDH1A1LMNATDP1TSHR
SCHEMBL22440024 0.77 ALDH1A1 (0.49) ALDH1A1LMNATDP1TSHR
SCHEMBL12614866 0.77 MAPT (0.46) ALDH1A1LMNATSHRHPGD

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 10 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-2991983-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-03-09 EP disclosed
WO-2014177458-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
EP-2403840-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS Pierre Fabre Médicament (FR) 2012-01-11 EP disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2010100139-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2010-09-10 WO disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 WO disclosed
EP-1381363-A1 IMIDAZO [1,2-A]-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-21 EP disclosed
WO-2002092086-A1 IMIDAZO (1,2-A)-PYRIDINE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 WO disclosed