SCHEMBL5755084

SCHEMBL5755084

CC(CN)Cc1cc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.49
PTGS2 P35354 3/20 0.49
TDP1 Q9NUW8 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPT P10636 2/20 0.43
DPP4 P27487 2/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KIF11 P52732 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
EGFR P00533 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5864333 0.80 PTGS1 (0.49) PTGS1PTGS2TDP1MAPK8MAPK9
SCHEMBL5604490 0.80 KIF11 (0.54) PTGS1PTGS2TDP1MAPK8MAPK9
SCHEMBL5759177 0.80 KIF11 (0.54) PTGS1PTGS2TDP1MAPK8MAPK9
SCHEMBL5756930 0.77 KIF11 (0.63) MAP1LC3BCYP3A4CYP2C19KIF11KCNH2
SCHEMBL5754110 0.75 MEN1 (0.40) PTGS1PTGS2TDP1MAPK8MAPK9
SCHEMBL4620734 0.71 KIF11 (0.57) PTGS1PTGS2TDP1MAPK8MAPK9
SCHEMBL5647619 0.70 TDP1 (0.55) PTGS1PTGS2TDP1MAPK8MAPK9
SCHEMBL5649781 0.69 TDP1 (0.51) PTGS1PTGS2TDP1MAPK8MAPK9
SCHEMBL4519529 0.68 KIF11 (0.56) PTGS1PTGS2TDP1MAPK8MAPK9
SCHEMBL5648396 0.68 KIF11 (0.56) PTGS1PTGS2TDP1MAPK8MAPK9

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-1556357-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
EP-1556357-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-27 EP disclosed
WO-2003106426-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-24 WO disclosed