SCHEMBL9820241

SCHEMBL9820241

Nc1c([CH]CO)cc(CCO)c([N+](=O)[O-])c1NCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK5 Q00535 4/20 0.34
CDK5R1 Q15078 4/20 0.34
POLB P06746 3/20 0.34
GAA P10253 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 1/20 0.33
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL10578183 0.81 CDK5 (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27984414 0.79 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10576372 0.78 POLB (0.38) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10579304 0.77 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10580564 0.77 RAB9A (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9820292 0.74 MAPT (0.35) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8412603 0.74 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10575831 0.74 TDP1 (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10581261 0.73 MAPT (0.34) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6672241 0.72 MAPT (0.41) 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-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP claimed