SCHEMBL5280703

SCHEMBL5280703

COc1c(N2CC(C)N(C(=O)CN)C(C)C2)c(F)cc2c(=O)c(OC(=O)NCc3ccc(Cl)cc3Cl)cn(C3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 4/20 0.44
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 2/20 0.43
PRKD3 O94806 1/20 0.43
ALOX15 P16050 1/20 0.43
OPRM1 P35372 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TOP1 P11387 2/20 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
SCHEMBL5180014 0.94 KDM4E (0.47) KCNH2KDM4EALDH1A1TDP1LMNA
SCHEMBL5279142 0.91 KDM4E (0.46) KCNH2KDM4EALDH1A1TDP1LMNA
SCHEMBL12917471 0.91 KCNH2 (0.52) KCNH2KDM4EALDH1A1TDP1LMNA
SCHEMBL5178558 0.90 KDM4E (0.46) KCNH2KDM4EALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL967198 0.90 KCNH2 (0.51) KCNH2KDM4EALDH1A1TDP1LMNA
SCHEMBL5242516 0.89 KDM4E (0.51) KCNH2KDM4EALDH1A1TDP1LMNA
SCHEMBL5182149 0.89 TOP1 (0.39) KCNH2KDM4EALDH1A1TDP1LMNA
SCHEMBL5279658 0.88 KDM4E (0.46) KCNH2KDM4EALDH1A1TDP1LMNA
SCHEMBL5179181 0.87 KDM4E (0.45) KCNH2KDM4EALDH1A1TDP1LMNA
SCHEMBL5180352 0.85 KDM4E (0.51) KCNH2KDM4EALDH1A1TDP1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed