SCHEMBL1383542

SCHEMBL1383542

COc1c(N2CC(CCN)C(F)(F)C2)ccc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
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
SCHEMBL4517410 0.93 KCNH2 (0.39) KCNH2TNFLITAFCYP3A4
SCHEMBL1381764 0.89 KCNH2 (0.37) KCNH2
SCHEMBL7512498 0.88 KCNH2 (0.37) KCNH2TNFLITAFCYP3A4
SCHEMBL1382555 0.86 TOP1 (0.30)
SCHEMBL1386477 0.85 KCNH2 (0.35) KCNH2TNFLITAF
SCHEMBL1382071 0.85 KCNH2 (0.40) KCNH2
SCHEMBL4517554 0.84 KCNH2 (0.39) KCNH2TNFLITAFCYP3A4
SCHEMBL4525946 0.84 KCNH2 (0.33) KCNH2TNFLITAFCYP3A4
SCHEMBL4525375 0.80 TOP1 (0.31) KCNH2CYP3A4
SCHEMBL4718338 0.79 KCNH2 (0.33) KCNH2TNFLITAFCYP3A4

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