SCHEMBL9514606

SCHEMBL9514606

O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MAPK14 Q16539 5/20 0.68
MAPK13 O15264 4/20 0.68
MAPK12 P53778 4/20 0.68
MAPK11 Q15759 4/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 4/20 0.68
TDP1 Q9NUW8 3/20 0.68
ALDH1A1 P00352 3/20 0.68
LMNA P02545 2/20 0.68
RAB9A P51151 2/20 0.68
RIPK2 O43353 1/20 0.68
GMNN O75496 1/20 0.68
TP53 P04637 1/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX5 P09917 1/20 0.68
THRB P10828 1/20 0.68
ALOX15 P16050 1/20 0.68
NFKB1 P19838 1/20 0.68
MAPK1 P28482 1/20 0.68

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
SCHEMBL2127659 1.00 KMT2A (0.68) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL2125126 0.94 MAPT (0.75) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL2126513 0.86 MAPT (0.74) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL5074753 0.84 MAPK13 (0.83) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL2957696 0.83 NOX1 (0.65) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL31029949 0.83 MAPK14 (0.70) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL15093567 0.83 NT5E (0.76) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL16667652 0.82 MAPK13 (0.83) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL104130 0.82 MAPK13 (0.82) KMT2AMAPK14MAPK13MAPK12MAPK11
Benzene SCHEMBL28852698 0.82 MAPK13 (0.82) KMT2AMAPK14MAPK13MAPK12MAPK11

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
JP-63208570-A None JP disclosed
EP-0365907-B1 Process for the preparation of p-nitrophenyl imidazoles BASF AG (DE) 1993-12-22 EP disclosed
US-5008398-A Preparation of p-nitrophenyl-imidazoles BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
EP-0365907-A1 Process for the preparation of p-nitrophenyl imidazoles BASF Aktiengesellschaft (DE) 1990-05-02 EP disclosed
JP-S63208570-A AROMATIC DIAMINE AND PRODUCTION THEREOF HITACHI CHEM CO LTD 1988-08-30 JP disclosed