SCHEMBL5205970

SCHEMBL5205970

Cc1cc(N=C2NCCN2)c(C)c(NS(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.40
PTGS1 P23219 3/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PARP14 Q460N5 1/20 0.32
PTGS2 P35354 2/20 0.32
NEU3 Q9UQ49 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5203309 0.87 CHUK (0.38) NR3C1PTGS1KEAP1NFE2L2PTGS2
SCHEMBL5203701 0.87 SLC22A12 (0.35) NR3C1PTGS1KEAP1NFE2L2PTGS2
SCHEMBL8547039 0.85 L3MBTL1 (0.33) NR3C1KEAP1NFE2L2
SCHEMBL5203045 0.81 KEAP1 (0.51) NR3C1PTGS1KEAP1NFE2L2PTGS2
SCHEMBL5200692 0.78 KEAP1 (0.41) NR3C1PTGS1KEAP1NFE2L2PTGS2
SCHEMBL8622564 0.74 HTR1D (0.32)
SCHEMBL5200674 0.73 PTGS1 (0.36) PTGS1KEAP1PTGS2
SCHEMBL5206710 0.72 MAPT (0.39) PTGS1KEAP1NFE2L2PTGS2
SCHEMBL8541498 0.69 DRD2 (0.37) PTGS1PTGS2GAA
Hydrochloric Acid SCHEMBL5203819 0.68 DRD2 (0.36) PTGS1PTGS2GAA

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