SCHEMBL10018239

SCHEMBL10018239

O=[N+]([O-])c1ccc(N2CCc3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
SIRT6 Q8N6T7 2/20 0.47
ROCK1 Q13464 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
LMNA P02545 5/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR2C P28335 1/20 0.44
DRD4 P21917 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
SCHEMBL15712664 0.91 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPTROCK1
SCHEMBL28231891 0.90 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTROCK1
SCHEMBL795310 0.88 HTR2C (0.48) KMT2AMEN1ALDH1A1MAPTROCK1
SCHEMBL20956996 0.84 MEN1 (0.60) KMT2AMEN1ALDH1A1MAPTSIRT6
SCHEMBL15712181 0.82 MAPT (0.45) KMT2AMEN1ALDH1A1MAPTSIRT2
SCHEMBL257551 0.81 MAPT (0.47) KMT2AMEN1ALDH1A1MAPTSIRT6
SCHEMBL14127565 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTROCK1
SCHEMBL28455024 0.80 TP53 (0.53) KMT2AMEN1ALDH1A1MAPTSIRT6
SCHEMBL5755108 0.80 MAPT (0.54) KMT2AMEN1ALDH1A1MAPTSIRT6
SCHEMBL3016231 0.80 ROCK1 (0.54) KMT2AALDH1A1ROCK1SIRT2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103180294-B Diamines, polyimide precursor, polyimide, liquid crystal aligning agent, liquid crystal orientation film and liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-23 CN disclosed
CN-103180294-A Diamine, polyimide precursor, polyimide, liquid-crystal alignment material, liquid-crystal alignment film, and liquid-crystal display element NISSAN CHEMICAL IND LTD 2013-06-26 CN disclosed
WO-2012029763-A1 DIAMINE, POLYIMIDE PRECURSOR, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT MATERIAL, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-03-08 WO disclosed