SCHEMBL4648207

SCHEMBL4648207

CC1=C(C(=O)O)C(c2ccc3[nH]cnc3c2)NC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRK2 P25098 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6405985 0.81 GAA (0.49) GAAALDH1A1ALOX15HSD17B10
SCHEMBL4648748 0.81 USP2 (0.43) USP2GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL19732920 0.75 USP2 (0.63) USP2GAAALDH1A1KDM4ETP53
SCHEMBL19732919 0.75 USP2 (0.63) USP2GAAALDH1A1KDM4ETP53
SCHEMBL2570938 0.75 USP2 (0.52) USP2GAAL3MBTL1GRK2ROCK1
SCHEMBL7660049 0.75 USP2 (0.52) USP2GAAL3MBTL1GRK2ROCK1
SCHEMBL19732929 0.75 USP2 (0.52) USP2GAAL3MBTL1GRK2ROCK1
SCHEMBL19732961 0.74 USP2 (0.58) USP2GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL10279779 0.74 USP2 (0.58) USP2GAAL3MBTL1ALDH1A1KDM4E
SCHEMBL19732923 0.73 USP2 (0.79) USP2ALDH1A1KDM4ETP53TDP1

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