SCHEMBL5202993

SCHEMBL5202993

Cc1c(OCC#N)ccc(Cl)c1NS(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.55
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
KCNH2 Q12809 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
ACLY P53396 1/20 0.33
PGR P06401 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 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
SCHEMBL5203771 0.75 KEAP1 (0.51) HTTPGRALOX15MAPTHSD17B10
SCHEMBL5203986 0.72 PDE1A (0.38) PDE1APDE1BPDE4DPDE7APDE1C
Dabuzalgron SCHEMBL5203336 0.71 ADRA1A (1.00) ADRA1ATSHRHSD17B10
Dabuzalgron SCHEMBL5200715 0.70 ADRA1A (0.98) ADRA1ALMNA
Dabuzalgron SCHEMBL19285840 0.70 ADRA1A (0.98) ADRA1ATSHRHSD17B10
SCHEMBL3889716 0.69 BRD4 (0.38) PDE4DALDH1A1POLBUSP2TP53
SCHEMBL5201854 0.69 PDE1A (0.37) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL8760084 0.68 MRGPRX4 (0.44) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL11261536 0.65 MAPT (0.54) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL11027469 0.65 MAPT (0.50) PDE1APDE1BPDE4DPDE7APDE1C

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