SCHEMBL3711201

SCHEMBL3711201

CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(-c2ccc([O])cc2)c2ccnn12

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 19/20 0.46
PPARG P37231 1/20 0.39

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
SCHEMBL1370887 0.92 SLC33A1 (0.46) SLC33A1
SCHEMBL1371549 0.89 SLC33A1 (0.47) SLC33A1
SCHEMBL3504586 0.87 SLC33A1 (0.44) SLC33A1
SCHEMBL1372935 0.86 SLC33A1 (0.49) SLC33A1
SCHEMBL1375229 0.86 SLC33A1 (0.44) SLC33A1
SCHEMBL1371481 0.86 SLC33A1 (0.49) SLC33A1
SCHEMBL1370222 0.85 SLC33A1 (0.44) SLC33A1PPARG
SCHEMBL1371788 0.83 SLC33A1 (0.43) SLC33A1
SCHEMBL1369681 0.80 SLC33A1 (0.53) SLC33A1
SCHEMBL1374218 0.79 SLC33A1 (0.73) SLC33A1

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-2010087515-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed