SCHEMBL5282677

SCHEMBL5282677

COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(OC(=O)NCc3ccc(Cl)cc3C)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KCNH2 Q12809 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TOP1 P11387 4/20 0.36
CYP2C19 P33261 1/20 0.35
P2RX7 Q99572 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL5284756 0.94 KDM4E (0.41) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL965085 0.91 KDM4E (0.45) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917312 0.91 KDM4E (0.45) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917346 0.91 KDM4E (0.45) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL5242516 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL966711 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL13744891 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL4257328 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917302 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDKCNH2POLB
SCHEMBL12917329 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDKCNH2POLB

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