SCHEMBL14740758

SCHEMBL14740758

Cc1ccc(-c2c(C)noc2C)cc1S(N)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 1.00
BRD2 P25440 18/20 1.00
BRD3 Q15059 18/20 1.00
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA7 P43166 1/20 0.65

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
SCHEMBL15980908 0.87 BRD4 (0.76) BRD4BRD2BRD3
SCHEMBL14740769 0.85 BRD4 (0.74) BRD4BRD2BRD3
SCHEMBL15980898 0.84 BRD4 (0.72) BRD4BRD2BRD3
SCHEMBL15980799 0.83 BRD4 (0.76) BRD4BRD2BRD3
SCHEMBL14756139 0.80 BRD4 (0.71) BRD4BRD2BRD3
SCHEMBL16756674 0.79 BRD4 (0.76) BRD4BRD2BRD3
SCHEMBL14757093 0.79 BRD4 (0.72) BRD4BRD2BRD3
SCHEMBL14756408 0.79 BRD4 (0.64) BRD4BRD2BRD3
SCHEMBL30269812 0.78 PTGS2 (0.67) BRD4BRD2BRD3CA1CA2
SCHEMBL14756381 0.78 BRD4 (0.85) BRD4BRD2BRD3

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-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed