SCHEMBL4648748

SCHEMBL4648748

CC1=C(C(=O)O)C(c2cc(C)c3[nH]cnc3c2)NC(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
GAA P10253 4/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KIF11 P52732 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL6404875 0.81 ADORA2B (0.46) GAAHSD17B10ALDH1A1POLBTSHR
SCHEMBL4648207 0.81 USP2 (0.46) USP2GAAHSD17B10KDM4EALDH1A1
SCHEMBL4646692 0.81 GAA (0.50) GAAHSD17B10POLBTSHRKIF11
SCHEMBL4648742 0.78 USP2 (0.52) USP2GAAHSD17B10KDM4EALDH1A1
SCHEMBL4650220 0.77 USP2 (0.47) USP2GAAHSD17B10KDM4EALDH1A1
SCHEMBL2569532 0.72 USP2 (0.52) USP2GAAHSD17B10KDM4EALDH1A1
SCHEMBL4647285 0.72 GAA (0.60) GAAALDH1A1TSHRLMNAHTT
SCHEMBL19732923 0.70 USP2 (0.79) USP2HSD17B10KDM4EALDH1A1TP53
SCHEMBL19732955 0.70 USP2 (0.79) USP2HSD17B10KDM4EALDH1A1TP53
SCHEMBL13789190 0.70 USP2 (0.79) USP2HSD17B10KDM4EALDH1A1TP53

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