SCHEMBL4648514

SCHEMBL4648514

COc1cc(C2NC(=O)NC(C)=C2C(=O)OCCC(C)(C)C)cc(C#N)c1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.58
TSHR P16473 7/20 0.56
HTT P42858 2/20 0.56
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.49
PDE1C Q14123 1/20 0.49
RAB9A P51151 1/20 0.49
NPC1 O15118 1/20 0.48
BLM P54132 1/20 0.48
MAPK10 P53779 1/20 0.47
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4649112 0.86 GAA (0.78) GAATSHRHTTKMT2ALMNA
SCHEMBL4646686 0.83 GAA (0.55) GAATSHRHTTKMT2ALMNA
SCHEMBL6405657 0.83 GAA (0.52) GAATSHRHTTKMT2ALMNA
SCHEMBL4646857 0.75 CREBBP (0.65) GAATSHRHTTKMT2ALMNA
SCHEMBL4646772 0.75 TSHR (0.59) GAATSHRHTTKMT2ALMNA
SCHEMBL6408458 0.72 CREBBP (0.62) GAATSHRHTTKMT2ALMNA
SCHEMBL13753875 0.72 GAA (0.64) GAATSHRHTTKMT2ALMNA
SCHEMBL4646681 0.71 GAA (0.51) GAAHSD17B10
SCHEMBL6408711 0.71 GAA (0.76) GAATSHRHTTKMT2ALMNA
SCHEMBL6406197 0.71 CREBBP (0.62) GAATSHRHTTKMT2AMEN1

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 disclosed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP disclosed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO disclosed