SCHEMBL11289155

SCHEMBL11289155

O=C(c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
VCAM1 P19320 1/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CES2 O00748 1/20 0.52
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
APP P05067 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 1/20 0.50
PDE7A Q13946 1/20 0.50
PDE7B Q9NP56 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49

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
Alcohol SCHEMBL27634214 0.93 HPGD (0.56) HPGDCYP1A2CYP3A4CYP2C19VCAM1
SCHEMBL27629164 0.93 HPGD (0.53) HPGDCYP1A2CYP3A4CYP2C19VCAM1
Piperidine SCHEMBL27676244 0.88 HPGD (0.49) HPGDCYP1A2CYP3A4CYP2C19VCAM1
SCHEMBL25413293 0.88 VCAM1 (0.57) HPGDCYP1A2CYP3A4CYP2C19VCAM1
SCHEMBL31366649 0.88 VCAM1 (0.57) HPGDCYP1A2CYP3A4CYP2C19VCAM1
SCHEMBL11301098 0.87 HPGD (0.59) HPGDCYP1A2CYP3A4CYP2C19VCAM1
SCHEMBL8124408 0.85 ALDH1A1 (0.55) HPGDCYP1A2CYP3A4CYP2C19ALDH1A1
Methylamine SCHEMBL27483022 0.84 MAPK1 (0.54) HPGDCYP1A2CYP3A4CYP2C19VCAM1
SCHEMBL27979993 0.83 VCAM1 (0.60) HPGDCYP3A4VCAM1RAB9AALDH1A1
SCHEMBL29355334 0.83 CES2 (0.75) HPGDCYP1A2VCAM1ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-87106446-A Microbicide compositions 1988-04-06 CN claimed
CN-101203132-B Insecticidal and bactericidal composition MITSUI CHEMICALS INC 2012-05-23 CN disclosed
CN-101208009-A Composition for preventing and removing pest MITSUI CHEMICALS INC (JP) 2008-06-25 CN disclosed
CN-101203132-A Insecticidal and bactericidal composition MITSUI CHEMICALS INC (JP) 2008-06-18 CN disclosed
CN-1681503-A Sulphonylpiperidine derivatives containing an aryl or heteroaryl group for use as matrix metalloproteinase inhibitors ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
CN-1512880-A Novel compounds and compositions as cathepsin inhibitors AXYSҩ�﹫˾ 2004-07-14 CN disclosed
CN-87106446-A Microbicide compositions 1988-04-06 CN disclosed
EP-0003259-B1 N-FORMYLANILIDO AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PROCESS FOR THE PREPARATION OF THE CORRESPONDING N-PHENYL AROMATIC AMINO COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-24 EP disclosed
US-4292446-A N-FORMYLANILINO AROMATICS, DIPHENYLAMINE INTERMEDIATES, PESTICIDES, PREPARATION FROM FORMANILIDES AND HALOAROMATICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-29 US disclosed
EP-0003259-A1 N-Formylanilido aromatic compounds, process for their preparation and process for the preparation of the corresponding N-phenyl aromatic amino compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-08 EP disclosed