SCHEMBL6542297

SCHEMBL6542297

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
PKM P14618 1/20 0.41
TYMP P19971 4/20 0.40
UPP1 Q16831 4/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 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
SCHEMBL4650112 0.85 UPP1 (0.39) UPP1ALDH1A1HSD17B10CYP2C19CYP1A2
SCHEMBL7580753 0.83 KDM4E (0.44) KDM4EPKMTYMPUPP1ALDH1A1
SCHEMBL5182348 0.73 UPP1 (0.64) KDM4EPKMUPP1ALDH1A1HPGD
SCHEMBL6543180 0.72 KDM4E (0.40) KDM4EPKMTYMPUPP1ALDH1A1
SCHEMBL8941878 0.68 UPP1 (0.61) KDM4ETYMPUPP1ALDH1A1HPGD
SCHEMBL15375288 0.67 TYMP (0.62) KDM4EPKMTYMPALDH1A1HPGD
SCHEMBL6543058 0.66 UPP1 (0.51) KDM4EPKMTYMPUPP1ALDH1A1
SCHEMBL10780143 0.65 UPP1 (0.53) KDM4ETYMPUPP1ALDH1A1HPGD
SCHEMBL6625526 0.65 UPP1 (0.66) KDM4EUPP1ALDH1A1HPGDHSD17B10
SCHEMBL9769540 0.62 ALDH1A1 (0.37) KDM4EUPP1ALDH1A1HPGDHSD17B10

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-B1 MONOAZO DYESTUFFS USEFUL FOR COLOUR FILTERS AND INK JET PRINTING AVECIA LTD (GB) 2004-07-14 EP disclosed
US-6723835-B1 PRINTING DYE; COLOR FILTER; YELLOW; CARBOXY GROUPS ORTHO TO THE AZO LINKAGE PROVIDE LIGHTFASTNESS VERSUS RELATED ORTHO-SULPHO ANALOGUES, WITH NO LOSS IN BRIGHTNESS AVECIA LIMITED (GB) 2004-04-20 US disclosed