SCHEMBL7555992

SCHEMBL7555992

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

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1383784 0.88 KCNH2 (0.41) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4519040 0.88 KCNH2 (0.40) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4717888 0.87 KCNH2 (0.43) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4510341 0.83 KCNH2 (0.37) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1383988 0.81 KCNH2 (0.41) KCNH2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4506650 0.81 KCNH2 (0.41) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6501943 0.81 KCNH2 (0.40) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1382800 0.81 KCNH2 (0.40) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6372004 0.80 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1383186 0.80 KCNH2 (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed