SCHEMBL4646408

SCHEMBL4646408

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 3/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4650227 0.88 GAA (0.54) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL6406176 0.87 GAA (0.47) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4683033 0.86 GAA (0.46) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4646413 0.80 GAA (0.52) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4647999 0.74 GAA (0.61) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL6409849 0.73 GAA (0.52) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4648653 0.72 GAA (0.56) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4743559 0.72 SMN1; SMN2 (0.56) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4648983 0.72 ALDH1A1 (0.53) GAALMNASMN1; SMN2TSHRUSP2
SCHEMBL4648623 0.70 GAA (0.63) 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