SCHEMBL1381093

SCHEMBL1381093

COc1c(N2C[C@H](C[C@@H](N)Oc3ccccc3)C(C)(C)C2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
TNF P01375 2/20 0.31
LITAF Q99732 2/20 0.31

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
SCHEMBL1384136 0.85 KCNH2 (0.35) KCNH2TNFLITAF
SCHEMBL1383754 0.84 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL1382898 0.84 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL4520872 0.83 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL1384175 0.83 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL4510748 0.83 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL4520742 0.83 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL7512498 0.80 KCNH2 (0.37) KCNH2TNFLITAF
SCHEMBL4559661 0.79 KCNH2 (0.35) KCNH2
SCHEMBL4558200 0.79 KCNH2 (0.35) KCNH2

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