SCHEMBL8334002

SCHEMBL8334002

COc1c(N2CC[C@@H]([C@@H](C)N(C)C)C2)c(F)cc2c(=O)c(OC(=O)O)cn(C3CC3)c12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.68
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
PRKD3 O94806 1/20 0.56
ALOX15 P16050 1/20 0.56
OPRM1 P35372 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.46

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
SCHEMBL8330563 1.00 KCNH2 (0.68) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8331741 1.00 KCNH2 (0.68) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8329349 0.92 KCNH2 (0.57) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8329785 0.92 KCNH2 (0.57) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8327890 0.92 KCNH2 (0.57) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8331306 0.91 KCNH2 (0.81) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8329136 0.90 KCNH2 (0.83) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8327660 0.90 KCNH2 (0.83) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8327664 0.90 KCNH2 (0.83) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8331194 0.90 KCNH2 (0.83) KCNH2KDM4EALDH1A1HPGDHSD17B10

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-0559774-B1 INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 1999-07-07 EP claimed