SCHEMBL10691182

SCHEMBL10691182

O=C(OBr)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
CHRM1 P11229 10/20 0.59
UBE2N P61088 1/20 0.49
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP1A2 P05177 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
SRR Q9GZT4 1/20 0.43
ACP3 P15309 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43

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
SCHEMBL14384902 0.82 EPHX1 (0.61) EPHX1CHRM1UBE2NESR1ESR2
SCHEMBL14691416 0.82 CHRM1 (0.63) EPHX1CHRM1UBE2NESR1ESR2
SCHEMBL27536367 0.82 EPHX1 (0.61) EPHX1CHRM1UBE2NESR1ESR2
SCHEMBL28207458 0.82 CHRM1 (0.63) EPHX1CHRM1UBE2NESR1ESR2
SCHEMBL1234209 0.82 ESR1 (0.68) EPHX1CHRM1UBE2NESR1ESR2
SCHEMBL1234701 0.81 EPHX1 (0.69) EPHX1CHRM1UBE2NCYP1A2ACP3
SCHEMBL15553196 0.81 CHRM1 (0.66) EPHX1CHRM1UBE2NESR1ESR2
SCHEMBL11403491 0.81 EPHX1 (0.59) EPHX1CHRM1UBE2NESR1ESR2
SCHEMBL599399 0.79 EPHX1 (0.71) EPHX1CHRM1UBE2NCYP1A2P4HTM
SCHEMBL67234 0.79 EPHX1 (0.71) EPHX1CHRM1UBE2NCYP1A2P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4764518-A Antibacterial agents containing oxo-4-pyridine carboxylic acid derivatives PANMEDICA (FR) 1988-08-16 US disclosed