SCHEMBL5332602

SCHEMBL5332602

CC(=O)N1CCc2cc(Br)c(S(=O)(=O)O)cc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
NOTUM Q6P988 7/20 0.52
IDO1 P14902 1/20 0.48
TRIM24 O15164 1/20 0.47
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
XIAP P98170 2/20 0.45
BIRC2 Q13490 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14058949 0.89 ACLY (0.53) ACLYNOTUMIDO1TRIM24NPSR1
SCHEMBL1179278 0.87 ACLY (0.53) ACLYNOTUMIDO1TRIM24NPSR1
SCHEMBL29707967 0.87 ACLY (0.53) ACLYNOTUMIDO1TRIM24NPSR1
SCHEMBL15882300 0.85 ACLY (0.61) ACLYNOTUMIDO1TRIM24XIAP
SCHEMBL29707979 0.85 ACLY (0.61) ACLYNOTUMIDO1TRIM24XIAP
SCHEMBL10598052 0.85 XIAP (0.60) ACLYNOTUMIDO1TRIM24XIAP
SCHEMBL13059953 0.84 NOTUM (0.57) NOTUMMAPK1MEN1KMT2A
SCHEMBL13732806 0.84 NPSR1 (0.62) ACLYNOTUMIDO1MAPK1NPSR1
SCHEMBL17545250 0.84 ACLY (0.58) ACLYNOTUMIDO1TRIM24XIAP
SCHEMBL3497696 0.83 NOTUM (0.52) NOTUMIDO1TRIM24MAPK1MEN1

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-2007067993-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed