SCHEMBL25340698

SCHEMBL25340698

COc1ccc(Br)cc1S(=O)(=O)NC1CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 1/20 0.63
CASP1 P29466 1/20 0.63
GLA P06280 1/20 0.61
DRD2 P14416 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
BRD4 O60885 4/20 0.57
BRD3 Q15059 4/20 0.57
BRD2 P25440 2/20 0.57
POLB P06746 1/20 0.56
ALDH1A1 P00352 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL23613810 0.94 SMN1; SMN2 (0.69) L3MBTL1SMN1; SMN2TP53CASP1GLA
SCHEMBL17393986 0.93 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2TP53CASP1GLA
SCHEMBL23585338 0.93 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2TP53CASP1GLA
SCHEMBL21760617 0.93 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2TP53CASP1GLA
SCHEMBL17393987 0.93 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2TP53CASP1GLA
SCHEMBL5622378 0.93 TP53 (0.74) L3MBTL1SMN1; SMN2TP53CASP1GLA
SCHEMBL17394430 0.91 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2TP53CASP1GLA
SCHEMBL16013130 0.85 L3MBTL1 (0.54) L3MBTL1SMN1; SMN2TP53CASP1GLA
SCHEMBL15040616 0.84 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2TP53CASP1DRD2
SCHEMBL16014701 0.82 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2TP53CASP1DRD2

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-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed