SCHEMBL9501265

SCHEMBL9501265

Cc1[nH]c2cc(O)c(O)cc2c1C.Cc1c[nH]c2cc(O)c(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.45
PRKACA P17612 3/20 0.45
PRKACG P22612 3/20 0.45
PRKACB P22694 3/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.38
AHR P35869 1/20 0.36
ATM Q13315 1/20 0.36
DAO P14920 1/20 0.36
DDO Q99489 1/20 0.36
HCRTR1 O43613 1/20 0.35
TP53 P04637 1/20 0.34
GPR35 Q9HC97 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL433122 0.87 SRC (0.58) SRCPRKACAPRKACGPRKACBKDM4E
SCHEMBL29638855 0.87 SRC (0.58) SRCPRKACAPRKACGPRKACBKDM4E
Bromide SCHEMBL10392457 0.85 SRC (0.56) SRCPRKACAPRKACGPRKACBKDM4E
SCHEMBL435044 0.85 SRC (0.48) SRCPRKACAPRKACGPRKACBKDM4E
SCHEMBL29638857 0.85 SRC (0.48) SRCPRKACAPRKACGPRKACBKDM4E
SCHEMBL15730605 0.77 ATM (0.43) SRCPRKACAPRKACGPRKACBKDM4E
SCHEMBL8729087 0.77 TUBB4A (0.43) MAPTNPC1RAB9ANR1I2
SCHEMBL8520252 0.75 SRC (0.39) SRCPRKACAPRKACGPRKACBKDM4E
SCHEMBL8033055 0.73 MAPT (0.45) SRCPRKACAPRKACGPRKACBKDM4E
SCHEMBL8030923 0.73 MAPT (0.45) SRCPRKACAPRKACGPRKACBKDM4E

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-0414585-B1 KERATINOUS FIBRES DYE COMPOSITION CONTAINING AN INDOLE DYE AND AT LEAST A PARAPHENYLENEDIAMINE HAVING A SECONDARY AMINO GROUP AND PROCESS L'OREAL (FR) 1993-04-21 EP claimed