SCHEMBL9694985

SCHEMBL9694985

COc1cc(OC)c([N+](=O)[O-])c(OC)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
HTT P42858 2/20 0.46
TDP1 Q9NUW8 5/20 0.45
KDM4E B2RXH2 4/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
BLM P54132 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
G6PD P11413 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL9694935 0.87 PKM (0.54) PKMHTTTDP1KDM4EPOLB
SCHEMBL9348700 0.83 PKM (0.65) PKMHTTTDP1KDM4EPOLB
SCHEMBL11197453 0.79 PKM (0.56) PKMHTTTDP1KDM4EPOLB
SCHEMBL23014465 0.77 HTT (0.52) PKMHTTTDP1KDM4EPOLB
SCHEMBL6644803 0.76 SMN1; SMN2 (0.47) PKMHTTTDP1KDM4EPOLB
SCHEMBL8036573 0.76 MAPT (0.48) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL2905398 0.75 PKM (0.59) PKMHTTTDP1KDM4EPOLB
SCHEMBL9352517 0.75 PKM (0.55) PKMHTTTDP1KDM4EPOLB
SCHEMBL27057188 0.75 PKM (0.51) PKMHTTTDP1KDM4EPOLB
Hydrochloric Acid SCHEMBL10426497 0.74 MAPT (0.46) TDP1KDM4EPOLBL3MBTL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370880-B1 TRIALKOXY-SUBSTITUTED M-PHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS COUPLING AGENTS IN THE OXIDATION DYEING OF KERATINIC FIBRES, ESPECIALLY HUMAN HAIR L'OREAL (FR) 1992-11-11 EP disclosed
US-5002585-A HAIR DYES, USED WITH PHENYLENEDIAMINES, AMINOPHENOLS AND AMINOPYRIDINES L'OREAL (FR) 1991-03-26 US disclosed
EP-0370880-A1 Trialkoxy-substituted m-phenylene diamines, process for their preparation, and their use as coupling agents in the oxidation dyeing of keratinic fibres, especially human hair L'OREAL (FR) 1990-05-30 EP disclosed