SCHEMBL4646413

SCHEMBL4646413

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.52
TSHR P16473 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.41
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 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
SCHEMBL6406182 0.86 GAA (0.49) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL4646408 0.80 GAA (0.50) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL4743559 0.77 SMN1; SMN2 (0.56) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL4648653 0.77 GAA (0.56) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL4648983 0.75 ALDH1A1 (0.53) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL4647999 0.75 GAA (0.61) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL6409849 0.75 GAA (0.52) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL4686505 0.74 GAA (0.53) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL6404449 0.72 GAA (0.54) GAATSHRLMNASMN1; SMN2USP2
SCHEMBL4646870 0.71 GAA (0.46) GAATSHRLMNASMN1; 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 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