SCHEMBL5750414

SCHEMBL5750414

COC(CN(CC(C)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(=O)c1ccccc1)OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.55
MAP1LC3B Q9GZQ8 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5604903 0.84 KIF11 (0.67) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5604394 0.81 KIF11 (0.57) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5603713 0.81 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4511747 0.79 KIF11 (0.68) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5604957 0.79 KIF11 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5521487 0.77 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5604490 0.77 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5759177 0.77 KIF11 (0.54) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5649781 0.77 TDP1 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5647619 0.77 TDP1 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO disclosed