SCHEMBL4646686

SCHEMBL4646686

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.55
TSHR P16473 3/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.52
KMT2A Q03164 4/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
MEN1 O00255 3/20 0.46
PDE1C Q14123 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 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
SCHEMBL4647285 0.84 GAA (0.60) GAATSHRHTTL3MBTL1NPC1
SCHEMBL6405657 0.84 GAA (0.52) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4648514 0.83 GAA (0.58) GAATSHRHTTNPC1KMT2A
SCHEMBL4648732 0.82 GAA (0.78) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4648742 0.76 USP2 (0.52) GAATSHRHTTL3MBTL1NPC1
SCHEMBL13753875 0.75 GAA (0.64) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4648763 0.75 GAA (0.53) GAATSHRHTTL3MBTL1NPC1
SCHEMBL4646857 0.74 CREBBP (0.65) GAATSHRHTTL3MBTL1NPC1
SCHEMBL13745523 0.74 GAA (0.76) GAATSHRHTTL3MBTL1NPC1
SCHEMBL19732945 0.73 USP2 (0.56) GAATSHRL3MBTL1KMT2AMEN1

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