SCHEMBL4649112

SCHEMBL4649112

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

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.78
TSHR P16473 6/20 0.65
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
HTT P42858 2/20 0.59
HSD17B10 Q99714 1/20 0.55
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.50
BLM P54132 1/20 0.50
MAPK10 P53779 1/20 0.49
PDE1C Q14123 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
SCHEMBL4648514 0.86 GAA (0.58) GAATSHRMEN1KMT2AHTT
SCHEMBL6408711 0.85 GAA (0.76) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL4648732 0.82 GAA (0.78) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL4649301 0.82 GAA (0.70) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL4647903 0.81 GAA (0.76) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL4647287 0.80 GAA (0.84) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL4647258 0.79 TSHR (0.98) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL4647779 0.78 TSHR (1.00) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL4646724 0.78 GAA (0.71) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL4646857 0.77 CREBBP (0.65) GAATSHRMEN1KMT2AALDH1A1

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