SCHEMBL28060643

SCHEMBL28060643

Nc1c(CCO)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
CYP3A4 P08684 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
FBP1 P09467 1/20 0.36
PDE7A Q13946 3/20 0.36
PDE7B Q9NP56 1/20 0.36
TSHR P16473 4/20 0.36
MAPK1 P28482 1/20 0.36
GPR35 Q9HC97 1/20 0.35
SNCA P37840 1/20 0.35
VCAM1 P19320 1/20 0.35

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
SCHEMBL1645661 0.87 ALDH1A1 (0.41) ALDH1A1CYP3A4POLBHTTLMNA
Ammonia Solution, Strong SCHEMBL28760910 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4POLBHTTLMNA
SCHEMBL9102939 0.83 ALOX15 (0.43) ALDH1A1CYP3A4POLBHTTLMNA
SCHEMBL10577811 0.82 HTT (0.56) ALDH1A1CYP3A4POLBHTTLMNA
SCHEMBL2912091 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4POLBLMNAMEN1
SCHEMBL535457 0.78 MAPK1 (0.52) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL29836060 0.78 MAPK1 (0.52) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
Ammonia Solution, Strong SCHEMBL28325235 0.77 MAPK1 (0.50) ALDH1A1CYP3A4MEN1KMT2ACYP1A2
SCHEMBL10268716 0.75 PDGFRB (0.50) ALDH1A1POLBHTTLMNAMEN1
SCHEMBL9650502 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105828882-B Packaging article comprising an envelope and an anhydrous dye composition comprising a direct dye, use thereof and process for dyeing keratin fibres 莱雅公司 2022-09-30 CN disclosed
CN-105828882-A Packaging article comprising an envelope and an anhydrous dye composition comprising a direct dye, use thereof and process for dyeing keratin fibres 莱雅公司 2016-08-03 CN disclosed