SCHEMBL6508034

SCHEMBL6508034

O=C1NC(=O)C(Cc2ccc(C#CCn3ccc4ccccc43)cc2)S1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.68
PPARG P37231 11/20 0.68
MAPT P10636 1/20 0.46
PPARA Q07869 5/20 0.45

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
SCHEMBL6509096 0.81 PPARG (0.50) FFAR1PPARGMAPTPPARA
SCHEMBL291967 0.81 FFAR1 (1.00) FFAR1PPARGPPARA
SCHEMBL29547028 0.81 FFAR1 (1.00) FFAR1PPARGPPARA
SCHEMBL6508025 0.77 PPARG (0.46) FFAR1PPARGMAPTPPARA
SCHEMBL6529595 0.75 PPARG (0.48) FFAR1PPARGMAPTPPARA
SCHEMBL23465376 0.75 FFAR1 (0.69) FFAR1PPARGMAPTPPARA
SCHEMBL29073166 0.74 CDK4 (0.46)
SCHEMBL6506248 0.73 PTAFR (0.44) FFAR1PPARGMAPTPPARA
SCHEMBL29073167 0.73 CDK4 (0.55)
SCHEMBL6529791 0.73 MGAM (0.48) PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed