SCHEMBL9047925

SCHEMBL9047925

O=[N+]([O-])c1nc(-c2ccc(Cl)cc2)[nH]c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.51
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
MAPK14 Q16539 2/20 0.46
RAF1 P04049 1/20 0.46
MAPK9 P45984 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPBWR1 P48145 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
MAPT P10636 2/20 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
SCHEMBL9047927 1.00 SCN2A (0.51) SCN2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL6469182 0.76 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3204647 0.70 RAB9A (0.60) SCN2AMEN1KMT2ANPBWR1NPC1
SCHEMBL3204662 0.70 RAB9A (0.75) MEN1KMT2ANPBWR1NPC1ALDH1A1
SCHEMBL22955338 0.69 CYP3A4 (0.55) SCN2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL9048174 0.69 SCN2A (0.80) SCN2A
SCHEMBL9818396 0.69 MAPK14 (0.47) SCN2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL23758266 0.69 MAPK14 (0.61) SCN2AMAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL31679079 0.68 MAPK14 (0.60) SCN2AMAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL23736200 0.68 MAPK14 (0.60) SCN2AMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712847-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PEST CONTROL DRUG NIPPON SODA CO., LTD. (JP) 1996-05-22 EP disclosed