SCHEMBL3408932

SCHEMBL3408932

O=CCc1cccc(Br)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
PNMT P11086 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
PDPK1 O15530 1/20 0.32
IDO1 P14902 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL6194272 0.79 PNMT (0.56) TSHRCYP1A2CYP2D6CYP2C19PNMT
SCHEMBL28879956 0.79 GABRA1 (0.43) GABRA1GABRB2TSHRCYP1A2CYP2D6
SCHEMBL29566515 0.79 TAAR1 (0.46) GABRA1GABRB2TSHRCYP1A2CYP2D6
SCHEMBL166137 0.79 TAAR1 (0.46) GABRA1GABRB2TSHRCYP1A2CYP2D6
SCHEMBL31152963 0.77 GABRA1 (0.56) GABRA1GABRB2TSHRCYP1A2CYP2D6
SCHEMBL1759301 0.76 PARP1 (0.40) GABRA1GABRB2TSHRPNMTTAAR1
SCHEMBL1701340 0.76 GABRA1 (0.40) GABRA1GABRB2TSHRCYP1A2CYP2D6
SCHEMBL430886 0.76 CA2 (0.43) GABRA1GABRB2LMNAALDH1A1MEN1
SCHEMBL15994927 0.76 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C19LMNAPNMT
SCHEMBL1849111 0.76 GABRA1 (0.35) GABRA1GABRB2TSHRTAAR1IDO1

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
EP-2262803-A1 POLYSUBSTITUTED DERIVATIVES OF 2-ARYL-6-PHENYL-IMIDAZO[L,2-A] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2010-12-22 EP disclosed
WO-2009144391-A1 POLYSUBSTITUTED DERIVATIVES OF 2-ARYL-6-PHENYL-IMIDAZO[L,2- Α] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-12-03 WO disclosed