SCHEMBL9867339

SCHEMBL9867339

Cc1cc(N(C(C)O)C(C)O)ccc1N=Nc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.39
MAPT P10636 9/20 0.39
NPC1 O15118 9/20 0.39
MEN1 O00255 9/20 0.39
KMT2A Q03164 9/20 0.39
TDP1 Q9NUW8 7/20 0.39
MAPK1 P28482 6/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ATM Q13315 3/20 0.39
ATIC P31939 1/20 0.37
SUMO2 P61956 1/20 0.37
SUMO1 P63165 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP2 Q9HC62 1/20 0.37
CYP3A4 P08684 3/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
PKM P14618 2/20 0.36
POLB P06746 2/20 0.35

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
SCHEMBL9867325 1.00 RAB9A (0.39) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL8216589 0.81 MAPT (0.49) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL8216588 0.81 MAPT (0.49) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL107988 0.77 MAPT (0.61) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL29596363 0.77 MAPT (0.61) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL107987 0.77 MAPT (0.61) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL5720475 0.77 MAPT (0.56) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL5720474 0.77 MAPT (0.56) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL14174536 0.76 RAB9A (0.47) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL9009285 0.75 RAB9A (0.54) RAB9AMAPTNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015769-A Hair dyes formed by reaction of an alcohol with a phenol in the presence of a strong base for etherification followed by amination L'OREAL (FR) 1991-05-14 US disclosed
US-4904276-A Nitroaminophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate nitroaminobenzenes and their use in dyeing keratinous fibres L'OREAL (FR) 1990-02-27 US disclosed
US-4749379-A HAIR DYES L'OREAL (FR) 1988-06-07 US disclosed
US-4740622-A 3-amino-4-nitrophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate 4,5-dinitrophenols L'OREAL (FR) 1988-04-26 US disclosed