SCHEMBL1386519

SCHEMBL1386519

COCC(N)C1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CC1F

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
PRKD3 O94806 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRM1 P35372 1/20 0.34
CLK2 P49760 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP1 P11387 1/20 0.32

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
SCHEMBL1386516 1.00 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1382951 1.00 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1381707 0.94 KCNH2 (0.37) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4523242 0.94 KCNH2 (0.37) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4507787 0.93 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1384149 0.93 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7555874 0.92 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7555884 0.92 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4523536 0.92 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4502095 0.92 KCNH2 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4811978-B2 2011-11-09 JP claimed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP claimed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO claimed