SCHEMBL5751997

SCHEMBL5751997

C[C@@H](CNCC(=O)CN1C(=O)c2ccccc2C1=O)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 2/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE10A Q9Y233 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
APP P05067 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PTGES O14684 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
SCHEMBL4511307 0.80 KIF11 (0.49) KIF11NPSR1SMN1; SMN2CYP3A4MAP1LC3B
SCHEMBL5753899 0.79 KIF11 (0.46) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754954 0.77 KIF11 (0.43) KIF11SMN1; SMN2CYP3A4MAP1LC3BCYP2C19
SCHEMBL5759177 0.77 KIF11 (0.54) KIF11SMN1; SMN2CYP3A4MAP1LC3BCYP2C19
SCHEMBL5604490 0.77 KIF11 (0.54) KIF11SMN1; SMN2CYP3A4MAP1LC3BCYP2C19
SCHEMBL5649781 0.77 TDP1 (0.51) KIF11SMN1; SMN2CYP3A4MAP1LC3BCYP2C19
SCHEMBL5647619 0.76 TDP1 (0.55) KIF11SMN1; SMN2CYP3A4MAP1LC3BCYP2C19
SCHEMBL5781210 0.75 KIF11 (0.41) KIF11SMN1; SMN2KCNH2
SCHEMBL4524718 0.73 KIF11 (0.48) KIF11NPSR1SMN1; SMN2CYP3A4MAP1LC3B
SCHEMBL5604623 0.72 TDP1 (0.40) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2

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