SCHEMBL4775736

SCHEMBL4775736

CCC(C)(c1oc2cc(O)ccc2c(=O)c1Cc1cccc(C#N)c1)N(CCCN)C(=O)c1ccc(C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
KCNH2 Q12809 1/20 0.39
HSD17B3 P37058 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
ESR1 P03372 4/20 0.33
AR P10275 1/20 0.33
ACP1 P24666 4/20 0.33
PTPN1 P18031 2/20 0.33
MAOB P27338 1/20 0.32
ESR2 Q92731 2/20 0.32
XDH P47989 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.31
MAP1LC3A Q9H492 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL4775734 0.82 KIF11 (0.48) KIF11KCNH2HSD17B3KDM4EGLA
SCHEMBL644766 0.81 KIF11 (0.59) KIF11KCNH2HSD17B3KDM4EGLA
SCHEMBL4775729 0.81 KIF11 (0.42) KIF11KCNH2HSD17B3KDM4EGLA
SCHEMBL5784190 0.80 KIF11 (0.40) KIF11KCNH2HSD17B3KDM4EGLA
SCHEMBL646934 0.77 KIF11 (0.60) KIF11KCNH2KDM4EMAOBMAP1LC3B
SCHEMBL645343 0.76 KIF11 (0.59) KIF11KCNH2MAOBMAP1LC3B
SCHEMBL643695 0.75 KIF11 (0.69) KIF11KCNH2MAOBMAP1LC3B
SCHEMBL5781721 0.75 KIF11 (0.39) KIF11KCNH2MAOB
SCHEMBL644147 0.74 KIF11 (0.56) KIF11KCNH2KDM4EMAOBMAP1LC3B
SCHEMBL1680115 0.74 KCNH2 (0.43) KIF11KCNH2HSD17B3KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP disclosed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 WO disclosed