SCHEMBL14744103

SCHEMBL14744103

O=[N+]([O-])c1cc(Cl)c(O)c(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.65
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 3/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL994720 0.86 MEN1 (0.56) GPR35ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL887770 0.86 GPR35 (0.77) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL17132338 0.80 ALDH1A1 (0.62) GPR35ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL10639224 0.80 GPR35 (0.69) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL5933778 0.80 GPR35 (0.69) GPR35ALDH1A1KMT2AMEN1HTT
SCHEMBL28683782 0.80 ALDH1A1 (0.72) GPR35ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL8329477 0.78 GPR35 (0.66) GPR35ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL2165473 0.78 GPR35 (1.00) GPR35ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL30807397 0.78 GPR35 (1.00) GPR35ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL5500088 0.77 ALDH1A1 (0.67) GPR35ALDH1A1CYP3A4KMT2AHSD17B10

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed