SCHEMBL6672241

SCHEMBL6672241

Nc1cc(CCCO)c([N+](=O)[O-])c(NCCO)c1NCCO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK5 Q00535 3/20 0.37
CDK5R1 Q15078 3/20 0.37
POLB P06746 3/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 2/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL27984414 0.92 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8412603 0.75 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9688028 0.74 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10577945 0.74 MEN1 (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28813961 0.74 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10577994 0.72 POLB (0.45) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL9820241 0.72 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10578183 0.72 CDK5 (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10576372 0.72 POLB (0.38) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10579304 0.71 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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-0898954-B1 Composition for dyeing keratin fibres WELLA AG (DE) 2004-09-15 EP disclosed