SCHEMBL213604

SCHEMBL213604

CCCCC(OC(=O)Nc1cc2ccccc2cn1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.57
NOTUM Q6P988 1/20 0.46
PPARG P37231 9/20 0.45
ALOX5 P09917 6/20 0.45
PTGES O14684 5/20 0.45
PPARA Q07869 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KLK7 P49862 1/20 0.41
ABL1 P00519 2/20 0.41
MTOR P42345 1/20 0.41
WNT3A P56704 1/20 0.40
CHEK1 O14757 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSEN1 P49768 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
SCHEMBL215045 0.88 NOTUM (0.49) CTSKNOTUMPPARGPPARAKDM4E
SCHEMBL212869 0.78 CTSK (0.51) CTSKNOTUMPPARGPPARAKDM4E
SCHEMBL2837600 0.77 CTSK (0.52) CTSKNOTUMKDM4EALDH1A1ABL1
SCHEMBL14658243 0.72 NOTUM (0.51) NOTUMKDM4EALDH1A1ABL1MTOR
SCHEMBL22793399 0.72 NOTUM (0.52) CTSKNOTUMKDM4EALDH1A1ABL1
SCHEMBL20718135 0.71 NOTUM (0.49) CTSKNOTUMKDM4EALDH1A1ABL1
SCHEMBL22550526 0.71 NOTUM (0.49) CTSKNOTUMKDM4EALDH1A1ABL1
SCHEMBL22550481 0.71 NOTUM (0.49) CTSKNOTUMKDM4EALDH1A1ABL1
SCHEMBL2574304 0.71 EPHX1 (0.61) CTSKNOTUMALDH1A1CHEK1
SCHEMBL22550360 0.71 CTSK (0.50) CTSKNOTUMKDM4EALDH1A1ABL1

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