SCHEMBL4715775

SCHEMBL4715775

NC(CCNC(=O)O)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.51
CYP3A4 P08684 2/20 0.51
MAP1LC3B Q9GZQ8 1/20 0.51
CYP2C19 P33261 1/20 0.51
KCNH2 Q12809 1/20 0.51
EGFR P00533 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
APP P05067 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4878429 0.88 KIF11 (0.46) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL12393646 0.82 KIF11 (0.54) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5724300 0.82 KIF11 (0.55) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4519529 0.78 KIF11 (0.56) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4283747 0.78 KIF11 (0.56) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5648396 0.78 KIF11 (0.56) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4619180 0.77 KIF11 (0.58) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL14078088 0.77 KIF11 (0.58) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5723915 0.76 KIF11 (0.61) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5723804 0.76 KIF11 (0.61) 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-1537089-A4 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-16 EP disclosed
EP-1537089-A2 COMPOUNDS COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2005-06-08 EP disclosed
WO-2004009036-A2 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-01-29 WO disclosed