SCHEMBL1134873

SCHEMBL1134873

O=C(CNC(=O)c1ccccc1)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NPC1 O15118 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 2/20 0.44
CES2 O00748 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL2646586 0.80 ALOX5 (0.62) RAB9AMAPTKMT2ALMNAHTT
Trinitrophenol SCHEMBL1134872 0.80 RAB9A (0.51) RAB9AMAPTKMT2ALMNAHTT
SCHEMBL2562637 0.75 ALDH1A1 (0.53) RAB9AMAPTKMT2ALMNAHTT
SCHEMBL27554309 0.72 SMN1; SMN2 (0.56) RAB9AMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL8761996 0.71 HCAR3 (0.50) RAB9AMAPTKMT2AHTTMEN1
SCHEMBL10424957 0.71 ALOX5 (0.67) RAB9AMAPTKMT2ALMNAHTT
SCHEMBL11125491 0.71 CA1 (0.51) MAPTKMT2ALMNAHTTMEN1
SCHEMBL6160168 0.71 RAB9A (0.66) RAB9AMAPTKMT2ALMNAMEN1
SCHEMBL8534736 0.71 RAB9A (0.87) RAB9AMAPTKMT2ALMNAHTT
SCHEMBL28891518 0.70 SMN1; SMN2 (0.54) RAB9AMAPTHTTALDH1A1SMN1; SMN2

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083628-B1 FUSED IMIDAZOLYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE PHARMACEUTICALS SA (ES) 2019-08-07 EP disclosed
EP-2817309-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2018-06-20 EP disclosed
US-9789117-B2 Use of sigma ligands in diabetes type-2 associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-10-17 US disclosed
EP-1781272-B1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA ESTEVE LABOR DR (ES) 2017-09-06 EP disclosed
CN-104254535-B Substituted pyrazolo [1,5 a] pyridine, its prepare and be used as the application of medicine 埃斯蒂文博士实验室股份有限公司 2017-07-14 CN disclosed
US-9676784-B2 Fused imidazolyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2017-06-13 US disclosed
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP disclosed
US-9617281-B2 Imidazo[2,1-b]thiazole derivatives, their preparation and use as medicaments LABORATORIES DEL DR. ESTEVE S.A. (ES) 2017-04-11 US disclosed
EP-2986616-B1 TRICYCLIC TRIAZOLIC COMPOUNDS AS SIGMA RECEPTORS LIGANS ESTEVE LABOR DR (ES) 2017-03-29 EP disclosed
EP-2807169-B1 SUBSTITUTED PYRANO AND FURANOQUINOLINES, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2017-03-01 EP disclosed
WO-2006069807-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
WO-2006069806-A1 PHARMACEUTICAL COMPOSITION COMPRINSING A 2,5-DIHYDROXYBENZENESULFONIC COMPOUNDS, A POTASSIUM ION CHANNEL MODULATOR AND A PHOSPHODIESTERASE TYPE 5 INHIBITOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
WO-2006069809-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
EP-1676841-A1 Substitited indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their prepartion and use in medicaments Esteve Laboratorios Dr. Esteve S.A. (ES) 2006-07-05 EP disclosed
EP-1676573-A1 Phamaceutical composition comprising a 2,5-dihydroxybenzenesulfonic-compound, a potassium ion channel modulator and a phosphodiesterase type 5 inhibitor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 EP disclosed
EP-1676842-A1 Nitro-substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 EP disclosed
EP-1652521-A1 Pharmaceutical composition of sildenafil and a large conductance Ca(2+) activated K+ channels activator LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-05-03 EP disclosed
WO-2006010587-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-02 WO disclosed
US-20060019969-A1 Use of compounds active on the sigma receptor for the treatment of allodynia LABORATORIOS DR. ESTEVE S.A. (ES) 2006-01-26 US disclosed
US-20060019968-A1 Use of compounds active on the sigma receptor for the treatment of neuropathic pain LABORATORIOS DR. ESTEVE S.A. (ES) 2006-01-26 US disclosed