SCHEMBL4650220

SCHEMBL4650220

CC1=C(C(=O)O)C(c2cc(C)c3[nH]ccc3c2)NC(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.43
GAA P10253 4/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 1/20 0.39
PKM P14618 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
SCHEMBL4648763 0.87 GAA (0.53) HSD17B10GAAKDM4EALDH1A1TP53
SCHEMBL4646681 0.80 GAA (0.51) HSD17B10GAAALDH1A1KIF11
SCHEMBL4648742 0.79 USP2 (0.52) USP2HSD17B10GAAKDM4EALDH1A1
SCHEMBL4648748 0.77 USP2 (0.43) USP2HSD17B10GAAKDM4EALDH1A1
SCHEMBL19732961 0.74 USP2 (0.58) USP2HSD17B10GAAKDM4EALDH1A1
SCHEMBL10279779 0.74 USP2 (0.58) USP2HSD17B10GAAKDM4EALDH1A1
SCHEMBL19732923 0.74 USP2 (0.79) USP2HSD17B10KDM4EALDH1A1TP53
SCHEMBL13789190 0.74 USP2 (0.79) USP2HSD17B10KDM4EALDH1A1TP53
SCHEMBL19732955 0.74 USP2 (0.79) USP2HSD17B10KDM4EALDH1A1TP53
SCHEMBL2569532 0.73 USP2 (0.52) USP2HSD17B10GAAKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP claimed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP claimed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO claimed