SCHEMBL1969781

SCHEMBL1969781

COc1c(N2CCC(OC(=O)O)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CCF)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.45
KDM4E B2RXH2 3/20 0.40
KCNH2 Q12809 3/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRKD3 O94806 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL1972467 0.94 TOP1 (0.44) TOP1KDM4EKCNH2ALDH1A1POLB
SCHEMBL1971816 0.93 TOP1 (0.42) TOP1KDM4EKCNH2
SCHEMBL2204916 0.92 TOP1 (0.46) TOP1KDM4EKCNH2ALDH1A1POLB
SCHEMBL2202810 0.89 TOP1 (0.43) TOP1KDM4EKCNH2POLB
SCHEMBL1971424 0.88 TOP1 (0.43) TOP1KDM4EKCNH2ALDH1A1POLB
SCHEMBL1973181 0.87 TOP1 (0.38) TOP1KDM4EALDH1A1HPGD
SCHEMBL1974194 0.87 TOP1 (0.41) TOP1KDM4EKCNH2ALDH1A1POLB
SCHEMBL1976421 0.87 TOP1 (0.46) TOP1KDM4EKCNH2ALDH1A1POLB
SCHEMBL1974904 0.86 TOP1 (0.45) TOP1KDM4EKCNH2ALDH1A1POLB
SCHEMBL1971410 0.86 TOP1 (0.35) TOP1KDM4EALDH1A1

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-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP disclosed
EP-1994020-A2 SUBSTITUTED QUINOLONES III AiCuris GmbH & Co. KG (DE) 2008-11-26 EP disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 WO disclosed