SCHEMBL4646870

SCHEMBL4646870

COc1cc(C2NC(=O)N(CCN(C)C)C(C)=C2C(=O)O)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.46
LMNA P02545 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 3/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4649550 0.86 ALDH1A1 (0.41) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4648983 0.86 ALDH1A1 (0.53) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL6403396 0.85 GAA (0.44) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4743559 0.81 SMN1; SMN2 (0.56) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4649545 0.78 GAA (0.38) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4647285 0.74 GAA (0.60) GAALMNATSHRHTTL3MBTL1
SCHEMBL6406891 0.71 ALDH1A1 (0.47) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4646413 0.71 GAA (0.52) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4688643 0.69 ALDH1A1 (0.49) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL6409604 0.68 ALDH1A1 (0.49) GAALMNASMN1; SMN2TSHRUSP2

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