SCHEMBL8107530

SCHEMBL8107530

Nc1ccc([N+](=O)[O-])cc1Nc1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 2/20 0.50
GFER P55789 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.44
PRSS1 P07477 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
SCHEMBL10534172 0.84 KMT2A (0.73) MAPTKMT2AMEN1MAPK1PKM
SCHEMBL6896833 0.83 KMT2A (0.62) MAPTKMT2AMEN1PKMALDH1A1
SCHEMBL563763 0.83 PKM (0.67) MAPTKMT2AMEN1MAPK1PKM
SCHEMBL127370 0.80 ALDH1A1 (0.68) MAPTKMT2APKMALDH1A1TDP1
SCHEMBL29392416 0.80 ALDH1A1 (0.68) MAPTKMT2APKMALDH1A1TDP1
SCHEMBL108393 0.79 KMT2A (0.65) MAPTKMT2AMEN1PKMALDH1A1
SCHEMBL29390080 0.79 KMT2A (0.65) MAPTKMT2AMEN1PKMALDH1A1
SCHEMBL29390514 0.77 KMT2A (0.70) MAPTKMT2AMEN1MAPK1PKM
SCHEMBL126989 0.77 KMT2A (0.70) MAPTKMT2AMEN1MAPK1PKM
SCHEMBL7095920 0.77 ALDH1A1 (0.60) MAPTKMT2APKMALDH1A1TDP1

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
EP-0658339-B1 Process and kit for dyeing hair BRISTOL MYERS SQUIBB CO (US) 2000-06-07 EP claimed