SCHEMBL8331306

SCHEMBL8331306

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

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.81
KDM4E B2RXH2 9/20 0.57
HPGD P15428 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
OPRM1 P35372 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
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
SCHEMBL8329727 0.92 KCNH2 (0.69) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8330230 0.92 KCNH2 (0.69) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9689899 0.91 KCNH2 (0.68) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8331741 0.91 KCNH2 (0.68) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8330563 0.91 KCNH2 (0.68) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8334002 0.91 KCNH2 (0.68) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8331786 0.90 KCNH2 (0.67) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8325614 0.90 KCNH2 (0.67) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8326332 0.90 KCNH2 (0.67) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8326525 0.90 KCNH2 (1.00) KCNH2KDM4EHPGDALDH1A1HSD17B10

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