SCHEMBL4648732

SCHEMBL4648732

COc1cc(C2NC(=O)NC(C)=C2C(=O)O)cc(Br)c1O

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.78
TSHR P16473 4/20 0.72
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
PKM P14618 1/20 0.62
KMT2A Q03164 1/20 0.62
HSD17B10 Q99714 1/20 0.58
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.55
NPC1 O15118 1/20 0.54
THRB P10828 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BLM P54132 1/20 0.49

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 0.88 GAA (0.60) GAATSHRMEN1ALDH1A1PKM
SCHEMBL4647903 0.87 GAA (0.76) GAATSHRMEN1ALDH1A1PKM
SCHEMBL6408711 0.87 GAA (0.76) GAATSHRMEN1ALDH1A1PKM
SCHEMBL4647258 0.85 TSHR (0.98) GAATSHRMEN1ALDH1A1PKM
SCHEMBL4647779 0.84 TSHR (1.00) GAATSHRMEN1ALDH1A1PKM
SCHEMBL4649301 0.83 GAA (0.70) GAATSHRMEN1ALDH1A1PKM
SCHEMBL4647287 0.83 GAA (0.84) GAATSHRMEN1ALDH1A1PKM
SCHEMBL4646686 0.82 GAA (0.55) GAATSHRMEN1ALDH1A1PKM
SCHEMBL4649112 0.82 GAA (0.78) GAATSHRMEN1ALDH1A1PKM
SCHEMBL4647999 0.79 GAA (0.61) GAATSHRMEN1ALDH1A1PKM

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 4 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
WO-2006031273-A2 CELLULAR PHENOTYPE CYTOKINETICS, INC. (US) 2006-03-23 WO disclosed