SCHEMBL6205052

SCHEMBL6205052

O=[N+]([O-])c1ccc[c]c1CBr

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
PLAU P00749 1/20 0.37
CA12 O43570 1/20 0.37
S100A4 P26447 1/20 0.36

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
SCHEMBL5585097 0.83 TDP1 (0.41) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL456245 0.83 TDP1 (0.44) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL1173928 0.80 TDP1 (0.41) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL5154337 0.79 KMT2A (0.41) TDP1KMT2AMEN1ALDH1A1TSHR
SCHEMBL831218 0.79 TDP1 (0.37) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL8177418 0.78 POLB (0.42) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL1173501 0.78 TDP1 (0.39) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL1179577 0.76 TDP1 (0.45) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL6958357 0.75 HSD17B10 (0.36) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL7136437 0.74 TDP1 (0.46) TDP1KMT2AMEN1GPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO disclosed