SCHEMBL1974585

SCHEMBL1974585

COc1c(N2CC(C)C(O)C(C)C2)c(F)cc2c(=O)c(OC(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 3/20 0.33
KCNH2 Q12809 2/20 0.33
P2RX7 Q99572 2/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL5177876 0.92 KDM4E (0.37) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL12427356 0.91 TOP1 (0.41) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL2203435 0.91 TOP1 (0.41) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL5275382 0.89 KDM4E (0.35) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL5178884 0.89 KDM4E (0.35) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL1974130 0.84 TOP1 (0.38) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL1976085 0.84 TOP1 (0.38) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL1973336 0.83 TOP1 (0.32) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL964549 0.83 TOP1 (0.41) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL12917371 0.83 TOP1 (0.41) TOP1KDM4EALDH1A1POLBTDP1

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