SCHEMBL6543058

SCHEMBL6543058

CCCCc1c(O)[nH]c(=O)c(C#N)c1CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UPP1 Q16831 5/20 0.51
▸ KDM4E B2RXH2 11/20 0.46
▸ ALDH1A1 P00352 10/20 0.46
▸ HPGD P15428 8/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.44
▸ PKM P14618 1/20 0.42
▸ GAA P10253 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ APAF1 O14727 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TYMP P19971 1/20 0.37

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
SCHEMBL5182348 0.86 UPP1 (0.64) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL11051571 0.81 UPP1 (0.56) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL11121714 0.81 UPP1 (0.69) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL8941878 0.81 UPP1 (0.61) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL26354493 0.80 UPP1 (0.51) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL6543180 0.79 KDM4E (0.40) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL6625526 0.78 UPP1 (0.66) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL10780143 0.74 UPP1 (0.53) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL6655303 0.73 UPP1 (0.68) UPP1KDM4EALDH1A1HPGDCYP2C9
SCHEMBL11137548 0.71 UPP1 (0.57) UPP1KDM4EALDH1A1HPGDCYP2C9

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
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
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
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