SCHEMBL5281738

SCHEMBL5281738

COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(OC(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
HPGD P15428 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KCNH2 Q12809 3/20 0.53
HSD17B10 Q99714 3/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
OPRM1 P35372 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.43
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 1/20 0.39
TOP1 P11387 3/20 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
SCHEMBL4711938 0.89 KDM4E (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL968932 0.89 KDM4E (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL12917170 0.89 KDM4E (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL5179063 0.89 KDM4E (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL15090843 0.85 KDM4E (0.44) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL5277569 0.83 KDM4E (0.49) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL6963050 0.83 CYP3A4 (0.48) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL9236230 0.83 CYP3A4 (0.41) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL5284692 0.83 CYP3A4 (0.41) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL15062995 0.82 KCNH2 (0.43) KDM4EHPGDALDH1A1KCNH2HSD17B10

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