SCHEMBL6813447

SCHEMBL6813447

Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cccc(CN3CCOCC3)c21

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.69
POLA1 P09884 2/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
F2 P00734 1/20 0.51
TP53 P04637 1/20 0.49

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
SCHEMBL6814213 0.89 KCNH2 (0.67) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6288520 0.84 KCNH2 (0.68) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6789243 0.84 POLA1 (0.69) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6698737 0.84 POLA1 (0.69) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6840599 0.84 KCNH2 (0.68) KCNH2POLA1MEN1KMT2AF2
SCHEMBL30372497 0.83 MEN1 (0.73) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6699690 0.83 MEN1 (0.73) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6281183 0.83 KCNH2 (0.71) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6694529 0.83 KCNH2 (0.66) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6283191 0.83 KCNH2 (0.66) KCNH2POLA1MEN1KMT2AF2

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-1140851-B1 4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2004-09-01 EP claimed