SCHEMBL213675

SCHEMBL213675

CC(=O)OCCCCCOC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
CTSK P43235 1/20 0.44
MTOR P42345 1/20 0.44
WNT3A P56704 1/20 0.43
CHEK1 O14757 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
BCHE P06276 4/20 0.41
ACHE P22303 3/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ABL1 P00519 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 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
SCHEMBL213605 0.86 KDM4E (0.46) NOTUMWNT3ACHEK1ALDH1A1KDM4E
SCHEMBL213835 0.85 KDM4E (0.47) NOTUMCTSKMTORWNT3ACHEK1
SCHEMBL212870 0.84 NOTUM (0.46) NOTUMCTSKMTORWNT3ACHEK1
SCHEMBL213202 0.84 NOTUM (0.46) NOTUMCTSKMTORWNT3ACHEK1
SCHEMBL2837602 0.84 NOTUM (0.46) NOTUMCTSKMTORWNT3ACHEK1
SCHEMBL214063 0.84 NOTUM (0.47) NOTUMCTSKMTORWNT3ACHEK1
SCHEMBL215046 0.84 ALDH1A1 (0.48) NOTUMCTSKMTORWNT3ACHEK1
SCHEMBL213578 0.81 NOTUM (0.44) NOTUMCTSKMTORWNT3ACHEK1
SCHEMBL22550360 0.79 CTSK (0.50) NOTUMCTSKMTORWNT3ACHEK1
SCHEMBL22793399 0.78 NOTUM (0.52) NOTUMCTSKMTORWNT3ACHEK1

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