SCHEMBL10959232

SCHEMBL10959232

Nc1ccc([N+](=O)[O-])c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.58
NSD2 O96028 1/20 0.58
GAA P10253 1/20 0.58
PLCG1 P19174 1/20 0.58
DNMT1 P26358 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 5/20 0.57
TDP1 Q9NUW8 5/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CA9 Q16790 5/20 0.46
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 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
SCHEMBL10343077 0.94 ALDH1A1 (0.61) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL1131324 0.85 CASP6 (0.67) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL1366872 0.83 CASP6 (0.65) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL1459627 0.83 CASP6 (0.65) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL10393794 0.83 ALDH1A1 (0.68) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL6051371 0.83 ALDH1A1 (0.59) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL11758589 0.82 CASP6 (0.67) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL10393304 0.80 ALDH1A1 (0.78) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL392626 0.79 HPGD (0.62) CASP6NSD2GAAPLCG1DNMT1
SCHEMBL31093944 0.79 HPGD (0.68) CASP6NSD2GAAPLCG1DNMT1

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
US-4540776-A Reactive fluorotriazinylaminonaphthotriazolyphenylazopyridone or pyrimidone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
US-4354968-A Azo reactive dyestuffs having an aryl-triazinyl-aryl diazo component BAYER AKTIENGESELLSCHAFT (DE) 1982-10-19 US disclosed
EP-0013879-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE FOR DYEING MATERIALS CONTAINING HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1982-09-15 EP disclosed