SCHEMBL9706699

SCHEMBL9706699

Nc1ccc(-c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 7/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 1/20 0.47
TLR9 Q9NR96 1/20 0.47
PTGS2 P35354 2/20 0.45
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
NPC1 O15118 2/20 0.43
MCL1 Q07820 2/20 0.43
POLB P06746 2/20 0.43
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43
NPBWR1 P48145 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3618809 0.85 PTGS2 (0.57) NT5EALDH1A1MAPTMEN1KMT2A
SCHEMBL11667865 0.84 PTPRC (0.55) NT5EALDH1A1MAPTMEN1KMT2A
SCHEMBL11593320 0.84 NT5E (0.53) NT5EALDH1A1MAPTMEN1KMT2A
SCHEMBL1004339 0.81 HSD17B10 (0.53) NT5EALDH1A1MAPTMEN1KMT2A
SCHEMBL315765 0.79 NT5E (0.59) NT5EALDH1A1RAB9ALMNAPTPRC
SCHEMBL67062 0.79 NT5E (0.59) NT5EALDH1A1RAB9ALMNAPTPRC
Hydrochloric Acid SCHEMBL8657314 0.79 HSD17B10 (0.52) NT5EALDH1A1MAPTMEN1KMT2A
SCHEMBL27636038 0.78 NT5E (0.47) NT5EALDH1A1MAPTMEN1KMT2A
SCHEMBL715241 0.78 NT5E (0.57) NT5EALDH1A1RAB9ALMNANFKB1
Ammonia Solution, Strong SCHEMBL5566229 0.78 NT5E (0.57) NT5EALDH1A1RAB9ALMNAPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202549-B1 PROCESS FOR DYEING LEATHER BAYER AG (DE) 1992-10-28 EP disclosed
US-5074884-A PROCESS FOR THE DYEING OF LEATHER WITH ANIONIC DYES AND POLYAMINOAMIDE RESIN AS DYEING AUXILIARY BAYER AKTIENGESELLSCHAFT (DE) 1991-12-24 US disclosed
EP-0202549-A2 Process for dyeing leather BAYER AG (DE) 1986-11-26 EP disclosed
EP-0176730-A2 Polyazo dyes BAYER AG (DE) 1986-04-09 EP disclosed