SCHEMBL3639263

SCHEMBL3639263

O=C(O)Oc1ccc([N+](=O)[O-])cc1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TTR P02766 1/20 0.43
GPR35 Q9HC97 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 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
SCHEMBL1249807 0.90 HTT (0.58) HTTPKMALDH1A1TDP1MAPK1
SCHEMBL20679615 0.86 AKR1C3 (0.52) HTTPTGDR2PKMALDH1A1TDP1
SCHEMBL20679607 0.86 AKR1C3 (0.52) HTTPTGDR2PKMALDH1A1TDP1
SCHEMBL2402136 0.86 TTR (0.55) ALDH1A1TDP1TP53CYP1A2MAPK1
SCHEMBL10881308 0.86 HTT (0.62) HTTPKMALDH1A1TDP1CYP3A4
SCHEMBL2402141 0.86 TTR (0.55) ALDH1A1TDP1TP53CYP1A2MAPK1
SCHEMBL3135666 0.84 ALDH1A1 (0.55) HTTPTGDR2PKMALDH1A1TDP1
SCHEMBL28003798 0.84 MEN1 (0.46) HTTPTGDR2PKMALDH1A1TDP1
SCHEMBL28193618 0.84 HSD17B10 (0.59) PKMALDH1A1CYP3A4CYP1A2GAA
SCHEMBL3135676 0.84 ALDH1A1 (0.55) HTTPTGDR2PKMALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164924-A2 IMPROVING THE PHOTOSTABILITY AND/OR CONTROL OF THE FLUORESCENCE INTENSITY OF FLUORESCENT DYES Picoquant GmbH (DE) 2010-03-24 EP disclosed
WO-2009003948-A2 PROCESS FOR IMPROVING THE PHOTOSTABILITY AND/OR CONTROL OF THE FLUORESCENCE INTENSITY OF FLUORESCENT DYES UNIVERSITÄT BIELEFELD (DE) 2009-01-08 WO disclosed
EP-0051563-B1 MONO-AZO COMPOUNDS CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
EP-0051563-A1 Mono-azo compounds CIBA-GEIGY AG (CH) 1982-05-12 EP disclosed
US-3954396-A MONOAZO CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed