SCHEMBL7572921

SCHEMBL7572921

Cc1cc(N)c2[nH]ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
CHEK1 O14757 1/20 0.44
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
ROCK2 O75116 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
ROCK1 Q13464 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTK2 Q05397 1/20 0.35
TRPA1 O75762 2/20 0.35
NOS1 P29475 3/20 0.34
NOS3 P29474 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
SCHEMBL5771889 0.79 TRPA1 (0.50) MAPTALDH1A1HTTKMT2APTK2
SCHEMBL7571990 0.76 NOS1 (0.46) MAPTCHEK1KDM4EALDH1A1GAA
SCHEMBL20106770 0.76 NOS1 (0.50) MAPTHTTKMT2AROCK1PTK2
SCHEMBL19204828 0.76 LRRK2 (0.40) MAPTKDM4EALDH1A1HTTPTK2
SCHEMBL14500106 0.76 NOS1 (0.50) MAPTCHEK1KDM4EALDH1A1HTT
SCHEMBL15828619 0.76 CHEK1 (0.40) MAPTCHEK1KDM4EALDH1A1GAA
SCHEMBL22945577 0.76 CHEK1 (0.40) MAPTCHEK1KDM4EALDH1A1GAA
SCHEMBL19447286 0.73 KMT2A (0.40) MAPTKDM4EGAAHTTKMT2A
SCHEMBL15077054 0.73 TRPA1 (0.39) MAPTCHEK1KDM4EALDH1A1HTT
SCHEMBL3012819 0.73 MAPT (0.57) MAPTKDM4EALDH1A1LMNAHTT

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-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US disclosed