SCHEMBL5780872

SCHEMBL5780872

CC(CNCCCNC(=O)OC(C)(C)C)Cc1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A43 Q9HB55 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
ACP1 P24666 1/20 0.36

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
SCHEMBL5784544 0.95 KDM4E (0.40) KIF11KCNH2CYP1A1CYP2D6CYP2B6
SCHEMBL5781314 0.83 KIF11 (0.48) KIF11KCNH2KDM4EMEN1KMT2A
SCHEMBL5780674 0.82 KIF11 (0.51) KIF11KCNH2CYP1A1CYP2D6CYP2B6
SCHEMBL6021539 0.82 KIF11 (0.43) KIF11KCNH2MEN1KMT2AMAPK8
SCHEMBL646087 0.81 KIF11 (0.48) KIF11KCNH2CYP1A1CYP2D6CYP2B6
SCHEMBL5782761 0.80 KIF11 (0.49) KIF11KCNH2MEN1KMT2ALMNA
SCHEMBL5780866 0.79 KIF11 (0.43) KIF11KCNH2CYP1A1CYP2D6CYP2B6
SCHEMBL645583 0.78 KIF11 (0.47) KIF11KCNH2CYP1A1CYP2D6CYP2B6
SCHEMBL5783239 0.77 KIF11 (0.48) KIF11KCNH2KDM4EMEN1KMT2A
SCHEMBL5784541 0.77 KIF11 (0.43) KIF11KCNH2CYP1A1CYP2D6CYP2B6

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-1511734-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-05-10 EP disclosed
EP-1511734-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-09 EP disclosed
WO-2003088903-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-10-30 WO disclosed