SCHEMBL1974255

SCHEMBL1974255

COc1c(N2CC(C)C(O)C(C)C2)c(F)cc2c(=O)c(OC(=O)O)cn(CC(F)(F)F)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 4/20 0.42
KCNH2 Q12809 3/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TOP1 P11387 9/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5179344 0.90 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL12427302 0.90 TOP1 (0.52) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL2199878 0.90 TOP1 (0.52) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1970509 0.88 KCNH2 (0.47) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1971640 0.83 KCNH2 (0.46) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1974491 0.81 STAT3 (0.34) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1974585 0.81 TOP1 (0.35) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1975281 0.79 KCNH2 (0.45) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1972521 0.79 KCNH2 (0.45) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL1973849 0.79 KCNH2 (0.45) KDM4EALDH1A1HPGDHSD17B10KCNH2

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-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP disclosed