SCHEMBL5822975

SCHEMBL5822975

CC(C)C1=NC(S(C)(=O)=O)(S(C)(=O)=O)CN1C(c1cc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
MAPK8 P45983 8/20 0.39
KIF11 P52732 2/20 0.36
MAPK9 P45984 1/20 0.35
MAPT P10636 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE1C Q14123 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5864291 0.88 TDP1 (0.42) PTGS1PTGS2TDP1MAPK8KIF11
SCHEMBL5864327 0.77 CYP2C19 (0.40) PTGS1PTGS2TDP1MAPK8KIF11
SCHEMBL5754107 0.76 ALDH1A1 (0.41) PTGS1PTGS2TDP1MAPK8KIF11
SCHEMBL5863779 0.75 TDP1 (0.36) PTGS1PTGS2TDP1MAPK8KIF11
SCHEMBL5786959 0.74 L3MBTL1 (0.37) PTGS1PTGS2TDP1MAPK8KIF11
SCHEMBL5752888 0.74 KIF11 (0.41) PTGS1PTGS2TDP1MAPK8KIF11
SCHEMBL4510476 0.74 KIF11 (0.46) PTGS1PTGS2TDP1MAPK8KIF11
SCHEMBL5863739 0.74 MAPK8 (0.38) PTGS1PTGS2TDP1MAPK8KIF11
SCHEMBL5863996 0.74 ALDH1A1 (0.39) MAPK8MAPTCYP3A4CYP2C19KDM4E
SCHEMBL5754034 0.73 GRIN1 (0.39) PTGS1PTGS2TDP1MAPK8CYP3A4

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