SCHEMBL6674978

SCHEMBL6674978

CN(C)C(CO)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
OPRM1 P35372 4/20 0.46
OPRK1 P41145 3/20 0.46
ALOX5 P09917 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KEAP1 Q14145 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
Hydrochloric Acid SCHEMBL27535166 0.98 KDM4E (0.48) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2018408 0.85 OPRM1 (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4742742 0.85 OPRM1 (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2488429 0.85 OPRM1 (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL2376360 0.82 OPRM1 (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL11201016 0.81 ALOX5 (0.39) KDM4EALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL30082837 0.81 OPRM1 (0.43) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL3243862 0.80 OPRM1 (0.49) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL9799315 0.79 OPRM1 (0.42) KDM4EALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3742352 0.79 OPRM1 (0.48) KDM4EALDH1A1MEN1KMT2ALMNA

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-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed