SCHEMBL8941878

SCHEMBL8941878

CCCCCCc1c(O)[nH]c(=O)c(C#N)c1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 4/20 0.61
ALDH1A1 P00352 5/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 2/20 0.46
KDM4E B2RXH2 7/20 0.42
HPGD P15428 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TYMP P19971 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 2/20 0.41
GAA P10253 2/20 0.40
APAF1 O14727 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.39

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 0.94 UPP1 (0.64) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL10780143 0.92 UPP1 (0.53) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL6625526 0.89 UPP1 (0.66) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL6655303 0.84 UPP1 (0.68) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL11121714 0.83 UPP1 (0.69) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL6543058 0.81 UPP1 (0.51) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL9114384 0.79 UPP1 (0.60) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL7157723 0.77 UPP1 (0.52) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL9114390 0.77 UPP1 (0.80) UPP1ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL16561918 0.76 UPP1 (1.00) UPP1ALDH1A1CYP2C9CYP2C19MAPT

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-0736069-A1 PYRIDONE DYES BASF AG (DE) 1996-10-09 EP disclosed
WO-1995017470-A1 PYRIDONE DYES BASF AKTIENGESELLSCHAFT (DE) 1995-06-29 WO disclosed