SCHEMBL257551

SCHEMBL257551

Nc1ccc2c(c1)CCCN2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 1/20 0.47
TLR9 Q9NR96 1/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIRT6 Q8N6T7 2/20 0.42
EED O75530 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28455024 0.85 TP53 (0.53) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL257151 0.84 PDK1 (0.45) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL15712181 0.82 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL28898751 0.82 MAPT (0.56) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL10018239 0.81 KMT2A (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL15712182 0.78 ALDH1A1 (0.46) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL31038200 0.77 MAPT (0.43) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL29756072 0.76 ATAD2 (0.44) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL257149 0.74 DDB1 (0.44) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL25184947 0.74 ROCK1 (0.48) MAPTLMNAMEN1KMT2ARAB9A

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
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