SCHEMBL5206663

SCHEMBL5206663

CS(=O)(=O)Nc1cccc(OCc2c[nH]cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
AR P10275 1/20 0.42
POLB P06746 1/20 0.40
SLC6A4 P31645 3/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
F2 P00734 1/20 0.38
DHX9 Q08211 1/20 0.38

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
Oxalic Acid SCHEMBL5201396 0.94 DRD2 (0.47) DRD2DRD4DRD3CYSLTR2CYSLTR1
SCHEMBL7103193 0.80 PARP1 (0.48) DRD2DRD4DRD3SMN1; SMN2ADRA1A
SCHEMBL7094939 0.76 AR (0.71) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL5201601 0.73 NISCH (0.56) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL221820 0.73 LMNA (0.45) SMN1; SMN2POLBLMNA
Hydrochloric Acid SCHEMBL5202978 0.72 NISCH (0.54) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL223576 0.72 APP (0.52) ALDH1A1
SCHEMBL10821884 0.72 DRD2 (0.55) DRD2DRD4DRD3SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5203127 0.71 NISCH (0.53) DRD2DRD4DRD3ADRA1DADRA1A
SCHEMBL4204011 0.71 PGR (0.62) DRD2DRD4DRD3SMN1; SMN2POLB

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