SCHEMBL5203102

SCHEMBL5203102

Cc1cn(S(C)(=O)=O)c2cc(N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
TTR P02766 2/20 0.39
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
CASP1 P29466 3/20 0.36
GAA P10253 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP7 P55210 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRPF1 P55201 1/20 0.35
FABP4 P15090 1/20 0.35
KAT2B Q92831 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33

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
SCHEMBL5203329 0.82 L3MBTL1 (0.35) HTR6L3MBTL1TTRALDH1A1KDM4E
SCHEMBL5204149 0.75 ALDH1A1 (0.45) HTR6L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL30895894 0.73 KDM4E (0.43) L3MBTL1ALDH1A1KDM4ECA12CA1
SCHEMBL15910588 0.71 HTR6 (0.38) HTR6L3MBTL1TTRALDH1A1KDM4E
SCHEMBL15730221 0.70 HTR6 (0.46) HTR6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5200723 0.69 HTR6 (0.33) HTR6
SCHEMBL2357841 0.69 HTR6 (0.56) HTR6L3MBTL1BRPF1MAPTMEN1
SCHEMBL14642142 0.67 HTR6 (1.00) HTR6L3MBTL1KDM4EFABP4
SCHEMBL19848667 0.67 DDB1 (0.41) L3MBTL1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL19911413 0.67 MAPT (0.49) L3MBTL1ALDH1A1KDM4EGAAHSD17B10

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 9 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
CN-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN 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
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN disclosed