SCHEMBL5203771

SCHEMBL5203771

Cc1c(NS(C)(=O)=O)cccc1OCC#N

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 1/20 0.51
NR3C1 P04150 14/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
HSD17B10 Q99714 1/20 0.40
GLO1 Q04760 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL22596682 0.80 L3MBTL1 (0.38) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL5637788 0.77 KEAP1 (0.62) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL5202993 0.75 ADRA1A (0.55) PGRHSD17B10ALOX15HTTMAPT
SCHEMBL5203351 0.75 KEAP1 (0.56) KEAP1NFE2L2NR3C1PGRNR3C2
SCHEMBL3889716 0.74 BRD4 (0.38) HSD17B10KDM4E
SCHEMBL7404589 0.73 HTR1B (0.51) HSD17B10ALOX15HTTKDM4EMAPT
SCHEMBL5201274 0.72 DRD2 (0.54) KEAP1NR3C1PGRARHSD17B10
SCHEMBL5200592 0.71 KDM4E (0.45) KEAP1NFE2L2HSD17B10KDM4EMAPT
SCHEMBL5203294 0.70 TSHR (0.45) HSD17B10KDM4EMAPT
SCHEMBL8760084 0.70 MRGPRX4 (0.44) ALOX15HTTMAPT

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