SCHEMBL4759255

SCHEMBL4759255

COc1c(N2CCC(C(N)COc3ccccc3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
TOP1 P11387 3/20 0.40

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
SCHEMBL1382167 1.00 KCNH2 (0.46) KCNH2TOP1
SCHEMBL4512263 1.00 KCNH2 (0.46) KCNH2TOP1
SCHEMBL1383966 1.00 KCNH2 (0.46) KCNH2TOP1
SCHEMBL1382165 1.00 KCNH2 (0.46) KCNH2TOP1
SCHEMBL1385516 0.91 KCNH2 (0.47) KCNH2
SCHEMBL4515417 0.91 KCNH2 (0.47) KCNH2
SCHEMBL4515425 0.91 KCNH2 (0.47) KCNH2
SCHEMBL4526255 0.91 KCNH2 (0.47) KCNH2
SCHEMBL4760255 0.91 KCNH2 (0.47) KCNH2
SCHEMBL1383642 0.88 KCNH2 (0.47) 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
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP claimed