SCHEMBL6506826

SCHEMBL6506826

Cc1c(N2CC3CCCC3(NCCC#N)C2)c(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL6501206 0.81 KCNH2 (0.31) KCNH2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6506684 0.72 CSNK2A1 (0.32) KCNH2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6509717 0.72 KCNH2 (0.32) KCNH2
SCHEMBL6501642 0.65 KCNH2 (0.68) KCNH2
SCHEMBL6508275 0.65 KCNH2 (0.72) KCNH2
SCHEMBL6501496 0.63 KCNH2 (0.34) KCNH2
SCHEMBL6530621 0.63 KCNH2 (0.52) KCNH2
SCHEMBL6502365 0.61 KCNH2 (0.64) KCNH2
SCHEMBL6508139 0.61 KCNH2 (0.60) KCNH2
SCHEMBL1628646 0.61 PIM3 (0.42) KCNH2

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