SCHEMBL13093056

SCHEMBL13093056

C#Cc1sc2c(c1O)c(=O)c1cc(F)c(N3CCCC(CN)C3)c(OC)c1n2C1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.51
TOP1 P11387 6/20 0.43
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PRKD3 O94806 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL537612 0.93 KCNH2 (0.51) KCNH2TOP1POLBKDM4EPRKD3
SCHEMBL2675223 0.88 KCNH2 (0.56) KCNH2TOP1
SCHEMBL537083 0.87 KCNH2 (0.54) KCNH2TOP1POLBKDM4EPRKD3
SCHEMBL537074 0.87 KCNH2 (0.54) KCNH2TOP1POLBKDM4EPRKD3
SCHEMBL13093315 0.84 KCNH2 (0.59) KCNH2TOP1
SCHEMBL537000 0.82 KCNH2 (0.41) KCNH2TOP1POLBKDM4EPRKD3
SCHEMBL537045 0.82 KCNH2 (0.59) KCNH2TOP1
SCHEMBL15052748 0.82 KCNH2 (0.59) KCNH2TOP1
SCHEMBL15052745 0.82 KCNH2 (0.59) KCNH2TOP1
SCHEMBL2675006 0.82 KCNH2 (0.59) KCNH2TOP1

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-2010115184-A2 HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2010-10-07 WO disclosed