SCHEMBL2357335

SCHEMBL2357335

COc1ccc(-c2ccc(-n3c(C[C@@H]4CCN(C(=O)O)C4C(C)(C)C)n[nH]c3=O)c(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.61
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
PAX8 Q06710 5/20 0.35
ROCK2 O75116 1/20 0.34
HTT P42858 1/20 0.34
F10 P00742 2/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL2358391 0.93 FASN (0.53) FASNPAX8ROCK2DHODH
SCHEMBL2356332 0.91 FASN (0.49) FASN
SCHEMBL2355152 0.85 FASN (0.42) FASN
SCHEMBL2355763 0.85 FASN (0.46) FASN
SCHEMBL14151295 0.80 FASN (0.85) FASNBRD4BRD2BRD3ROCK2
SCHEMBL2299607 0.78 FASN (0.81) FASNROCK2HTT
SCHEMBL2299601 0.78 FASN (0.81) FASNROCK2HTT
SCHEMBL2356363 0.77 FASN (0.79) FASNHTT
SCHEMBL2355089 0.76 FASN (0.40) FASNHTT
SCHEMBL2355905 0.76 FASN (1.00) FASN

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-2011103546-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-08-25 WO disclosed