SCHEMBL8562014

SCHEMBL8562014

CS(=O)(=O)c1ccc(C(=O)C(Br)c2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.53
PTGS2 P35354 4/20 0.50
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
AKR1C3 P42330 1/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2J2 P51589 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL7084244 1.00 EPHX2 (0.53) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL2534850 0.85 CES2 (0.48)
SCHEMBL6025710 0.85 MAOA (0.56) PTGS2CYP2C19PTGS1
SCHEMBL7836035 0.84 PTGS2 (0.49) PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL7221221 0.84 PTGS2 (0.49) PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL7505910 0.83 EPHX2 (0.54) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL7507298 0.83 EPHX2 (0.54) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL6184286 0.83 EPHX2 (0.54) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL7220475 0.82 AKR1C3 (0.51) PTGS2AKR1C3PTGS1
SCHEMBL4585985 0.81 EPHX2 (0.52) EPHX2PTGS2AKR1C2AKR1C1AKR1C3

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-0819127-A1 IMIDAZO [1,2-a]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-01-21 EP disclosed
WO-1996031509-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-10-10 WO disclosed