SCHEMBL4650227

SCHEMBL4650227

COCCNC(=O)CN1C(=O)NC(c2cc(Br)c(O)c(OC)c2)C(C(=O)OCCC(C)(C)C)=C1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.54
LMNA P02545 4/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
USP2 O75604 1/20 0.54
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.37

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
SCHEMBL4646408 0.88 GAA (0.50) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4683033 0.87 GAA (0.46) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL6406176 0.87 GAA (0.47) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4688643 0.78 ALDH1A1 (0.49) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4649112 0.76 GAA (0.78) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4648653 0.75 GAA (0.56) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL6409849 0.73 GAA (0.52) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4686505 0.73 GAA (0.53) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL6404449 0.71 GAA (0.54) GAALMNATSHRSMN1; SMN2USP2
SCHEMBL4648905 0.70 GAA (0.77) GAALMNATSHRSMN1; SMN2USP2

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