SCHEMBL2355089

SCHEMBL2355089

CC(C)(C)C1[C@H](Cc2n[nH]c(=O)n2-c2ccc(Br)cc2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.40
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.32
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2355152 0.85 FASN (0.42) FASN
SCHEMBL2357731 0.81 FASN (0.44) FASN
SCHEMBL2356751 0.81 FASN (0.60) FASN
SCHEMBL2356332 0.78 FASN (0.49) FASN
SCHEMBL15064546 0.77 ALDH1A1 (0.34) GAAALDH1A1MAPTHPGDAPOBEC3G
SCHEMBL2357335 0.76 FASN (0.61) FASNHTT
SCHEMBL14151928 0.74 FASN (0.59) FASNSMN1; SMN2GAAALDH1A1HTT
SCHEMBL2358391 0.74 FASN (0.53) FASN
SCHEMBL2355763 0.74 FASN (0.46) FASN
SCHEMBL2301635 0.73 FASN (0.57) FASNGAAALDH1A1HTTGFER

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