SCHEMBL215045

SCHEMBL215045

CCC(OC(=O)Nc1cc2ccccc2cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
CTSK P43235 1/20 0.48
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ABL1 P00519 4/20 0.44
MTOR P42345 1/20 0.44
WNT3A P56704 1/20 0.43
CHEK1 O14757 1/20 0.43
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SCN9A Q15858 1/20 0.39
MAP3K7 O43318 1/20 0.39
MAP3K6 O95382 1/20 0.39
MAP3K5 Q99683 1/20 0.39

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
SCHEMBL213604 0.88 CTSK (0.57) NOTUMCTSKALDH1A1KDM4EABL1
SCHEMBL22550481 0.78 NOTUM (0.49) NOTUMCTSKALDH1A1KDM4EABL1
SCHEMBL20718135 0.78 NOTUM (0.49) NOTUMCTSKALDH1A1KDM4EABL1
SCHEMBL22550526 0.78 NOTUM (0.49) NOTUMCTSKALDH1A1KDM4EABL1
SCHEMBL9606798 0.76 NOTUM (0.47) NOTUMCTSKALDH1A1KDM4EABL1
SCHEMBL14658243 0.76 NOTUM (0.51) NOTUMALDH1A1KDM4EABL1MTOR
SCHEMBL22793399 0.75 NOTUM (0.52) NOTUMCTSKALDH1A1KDM4EABL1
SCHEMBL22550382 0.73 NOTUM (0.50) NOTUMCTSKALDH1A1KDM4EABL1
SCHEMBL20718428 0.73 NOTUM (0.50) NOTUMCTSKALDH1A1KDM4EABL1
SCHEMBL20718421 0.73 NOTUM (0.50) NOTUMCTSKALDH1A1KDM4EABL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed