SCHEMBL5202098

SCHEMBL5202098

CS(=O)(=O)n1ccc2ccc(CBr)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.52
BACE1 P56817 2/20 0.46
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CHRM1 P11229 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL14340649 0.85 HTR6 (0.54) HTR6BACE1MEN1KMT2ASLC1A3
SCHEMBL5206534 0.84 HTR6 (0.52) HTR6BACE1MEN1KMT2ASLC1A3
SCHEMBL5204217 0.80 HTR6 (0.49) HTR6BACE1MEN1KMT2ASLC1A3
SCHEMBL30955454 0.80 SLC1A3 (0.56) HTR6MEN1KMT2ASLC1A3SLC1A2
SCHEMBL7252893 0.78 HTR6 (0.56) HTR6BACE1MEN1KMT2AMAPT
SCHEMBL21240885 0.76 HTR6 (0.58) HTR6BACE1MEN1KMT2ACPT1A
SCHEMBL5201482 0.75 BACE1 (0.59) HTR6BACE1MEN1KMT2AMAPT
SCHEMBL2357841 0.75 HTR6 (0.56) HTR6BACE1MEN1KMT2AMAPT
SCHEMBL29496836 0.75 HTR6 (0.56) HTR6BACE1MEN1KMT2A
SCHEMBL5200679 0.73 TAAR1 (0.53) HTR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed