SCHEMBL5206534

SCHEMBL5206534

CS(=O)(=O)n1ccc2ccc(CO)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.52
BACE1 P56817 2/20 0.49
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
FABP4 P15090 3/20 0.36
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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) HTR6BACE1SLC1A3SLC1A2SLC1A1
SCHEMBL5202098 0.84 HTR6 (0.52) HTR6BACE1SLC1A3SLC1A2SLC1A1
SCHEMBL14340652 0.83 SLC1A3 (0.41) HTR6BACE1SLC1A3SLC1A2SLC1A1
SCHEMBL5204217 0.80 HTR6 (0.49) HTR6BACE1SLC1A3SLC1A2SLC1A1
SCHEMBL9372613 0.80 SLC1A3 (0.59) HTR6SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL30554778 0.80 SLC1A3 (0.59) HTR6SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8284544 0.79 HTR6 (0.63) HTR6MEN1KMT2AHTTHTR1A
SCHEMBL5201482 0.78 BACE1 (0.59) HTR6BACE1MEN1KMT2AFABP4
SCHEMBL7832462 0.78 FABP4 (0.47) HTR6SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL21240885 0.76 HTR6 (0.58) HTR6BACE1MEN1KMT2ACPT1A

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