SCHEMBL1383754

SCHEMBL1383754

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
TNF P01375 2/20 0.31
LITAF Q99732 2/20 0.31
CYP3A4 P08684 1/20 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
SCHEMBL1382898 1.00 KCNH2 (0.34) KCNH2TNFLITAFCYP3A4
SCHEMBL1384136 0.91 KCNH2 (0.35) KCNH2TNFLITAF
SCHEMBL1380914 0.91 KCNH2 (0.36) KCNH2TNFLITAFCYP3A4
SCHEMBL1380228 0.90
SCHEMBL1385514 0.87 KCNH2 (0.36) KCNH2
SCHEMBL1381093 0.84 KCNH2 (0.34) KCNH2TNFLITAF
SCHEMBL4516892 0.82 KCNH2 (0.34) KCNH2TNFLITAFCYP3A4
SCHEMBL4506136 0.82 KCNH2 (0.34) KCNH2TNFLITAFCYP3A4
SCHEMBL1385990 0.81 KCNH2 (0.36) KCNH2TNFLITAF
SCHEMBL1384792 0.81 KCNH2 (0.30) 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