SCHEMBL13626244

SCHEMBL13626244

Nc1c([N+](=O)[O-])c(O)nn1CCO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13626242 0.82 PKM (0.60) PKMMAPTMEN1KMT2ALMNA
SCHEMBL1074374 0.82 PKM (0.40) PKMMAPTMEN1KMT2ACYP1A2
SCHEMBL13626243 0.78 PKM (0.41) PKMMAPTMEN1KMT2ACYP1A2
SCHEMBL2953524 0.72 CYP1A2 (0.42) MAPTCYP1A2ALDH1A1
SCHEMBL8921624 0.70 MEN1 (0.40) MAPTMEN1KMT2ACYP1A2LMNA
Hydrochloric Acid SCHEMBL10338723 0.69 MEN1 (0.39) PKMMAPTMEN1KMT2ALMNA
SCHEMBL12479809 0.68 HTT (0.55) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL13627068 0.68 LMNA (0.37) PKMMAPTMEN1KMT2ALMNA
SCHEMBL1076637 0.68 ALDH1A1 (0.37) PKMMAPTMEN1KMT2ALMNA
SCHEMBL5383506 0.66 PKM (0.44) PKMMAPTMEN1KMT2ALMNA

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-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed