SCHEMBL7209295

SCHEMBL7209295

O=[N+]([O-])Nc1ccc(Cl)c(Cl)c1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PTGER4 P35408 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL309256 0.73 MEN1 (0.47) TDP1ALDH1A1MEN1KMT2A
SCHEMBL10996737 0.71 TDP1 (0.67) TDP1HSD17B10TSHRALDH1A1
SCHEMBL10985669 0.70 MAPT (0.37) TDP1CXCR1CXCR2ALDH1A1MEN1
SCHEMBL10610192 0.69 KMT2A (0.47) HSD17B10TSHRMEN1KMT2A
SCHEMBL11563326 0.69 TSHR (0.52) TDP1TSHRALDH1A1PKMMEN1
SCHEMBL31374378 0.68 MAPK1 (0.49) TSHRALDH1A1PKMMEN1KMT2A
SCHEMBL7208909 0.68 MAPK1 (0.49) TSHRALDH1A1PKMMEN1KMT2A
SCHEMBL9818523 0.67 HSD17B10 (0.43) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL1625817 0.66 TSHR (0.41) HSD17B10TSHRALDH1A1MEN1KMT2A
SCHEMBL11214572 0.65 HSP90AA1 (0.39) TDP1ALDH1A1PKMMEN1KMT2A

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-6617315-B1 Sugar-substituted benzimidazole derivatives are used for the treatment or prophylaxis of restenosis, particularly following angioplasty CHAMBERLAIN STANLEY DAWES (US) 2003-09-09 US disclosed