SCHEMBL7580753

SCHEMBL7580753

CCCCc1c(O)[nH]c(=O)c(NC)c1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TYMP P19971 4/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
UPP1 Q16831 3/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6542297 0.83 KDM4E (0.41) KDM4EPKMALDH1A1HPGDHSD17B10
SCHEMBL5182348 0.73 UPP1 (0.64) KDM4EPKMALDH1A1HPGDHSD17B10
SCHEMBL6543180 0.73 KDM4E (0.40) KDM4EPKMALDH1A1HPGDHSD17B10
SCHEMBL15375288 0.70 TYMP (0.62) KDM4EPKMALDH1A1HPGDHSD17B10
SCHEMBL4650112 0.68 UPP1 (0.39) ALDH1A1HSD17B10UPP1CYP1A2CYP2C19
SCHEMBL8941878 0.68 UPP1 (0.61) KDM4EALDH1A1HPGDHSD17B10TYMP
SCHEMBL6543058 0.66 UPP1 (0.51) KDM4EPKMALDH1A1HPGDHSD17B10
SCHEMBL6625526 0.65 UPP1 (0.66) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL12432434 0.62
SCHEMBL11350793 0.62 MAPT (0.61) KDM4EPKMALDH1A1HPGDHSD17B10

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
EP-1218449-A2 MONOAZO DYESTUFFS USEFUL FOR COLOUR FILTERS AND INK JET PRINTING Avecia Limited (GB) 2002-07-03 EP disclosed
WO-2001021714-A2 MONOAZO DYESTUFFS USEFUL FOR COLOUR FILTERS AND INK JET PRINTING AVECIA LIMITED (GB) 2001-03-29 WO disclosed