SCHEMBL7510033

SCHEMBL7510033

COc1c(N2CC(CCNC(=O)OC(C)(C)C)C(C)(C)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 2/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4515809 0.86 KCNH2 (0.35) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL1380188 0.85 KCNH2 (0.39) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL6501104 0.84 KCNH2 (0.39) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL4506076 0.83 KCNH2 (0.37) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL4526361 0.82 KCNH2 (0.36) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL4515204 0.81 KCNH2 (0.37) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL4515203 0.81 KCNH2 (0.37) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL4515211 0.81 KCNH2 (0.37) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL4501922 0.81 KCNH2 (0.37) KCNH2KDM4EALDH1A1POLBTDP1
SCHEMBL4515235 0.81 KCNH2 (0.37) KCNH2KDM4EALDH1A1POLBTDP1

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