SCHEMBL9688028

SCHEMBL9688028

Nc1cc(F)c(NCCO)c(NCCO)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 3/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PKM P14618 2/20 0.38
ATM Q13315 1/20 0.36

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
SCHEMBL9687117 0.85 RAB9A (0.47) MAPTKMT2AMEN1POLBGSK3A
SCHEMBL11969793 0.78 KMT2A (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27984414 0.77 MAPT (0.42) MAPTKMT2AMEN1POLBGSK3A
SCHEMBL9807546 0.75 MAPT (0.51) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6672241 0.74 MAPT (0.41) MAPTKMT2AMEN1POLBGSK3A
SCHEMBL9638790 0.74 MAPT (0.49) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL9481067 0.74 ALDH1A1 (0.46) MAPTKMT2AMEN1POLBGSK3A
SCHEMBL9480960 0.74 ALDH1A1 (0.46) MAPTKMT2AMEN1POLBGSK3A
SCHEMBL28813961 0.72 MAPT (0.39) MAPTKMT2AMEN1POLBGSK3A
SCHEMBL9637744 0.72 MAPT (0.68) MAPTKMT2AMEN1POLBALDH1A1

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
US-5163970-A NITRO-P-PHENYLENEDIAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COLORING AGENTS CONTAINING THESE FOR USE ON KERATIN FIBRES HANS SCHWARZKOPF GMBH (DE) 1992-11-17 US disclosed
US-5067967-A Nitro dyes for oxidation color dyes 501 HANS SCHWARZKOPF GMBH (DE) 1991-11-26 US disclosed