SCHEMBL6501496

SCHEMBL6501496

COc1c(N2CC3CCC(C(N)CC#N)C3C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.30
PRKD3 O94806 1/20 0.30
ALOX15 P16050 1/20 0.30
OPRM1 P35372 1/20 0.30
CLK2 P49760 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6506684 0.90 CSNK2A1 (0.32) KCNH2
SCHEMBL6509717 0.78 KCNH2 (0.32) KCNH2
SCHEMBL1558105 0.75 ALDH1A1 (0.37) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1552485 0.75 ALDH1A1 (0.37) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6500823 0.75 KCNH2 (0.64) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8113361 0.74 KDM4E (0.40) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1628321 0.74 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6532101 0.72 KCNH2 (0.63) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1628646 0.71 PIM3 (0.42) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1629770 0.70 KDM4E (0.37) 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
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed