SCHEMBL5201274

SCHEMBL5201274

CS(=O)(=O)Nc1cccc(OCC#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KEAP1 Q14145 1/20 0.43
PGR P06401 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
NR3C1 P04150 1/20 0.42
NPC1 O15118 1/20 0.41
AR P10275 1/20 0.41
RAB9A P51151 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PIP4K2A P48426 1/20 0.40

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
SCHEMBL10821884 0.87 DRD2 (0.55) DRD2DRD4DRD3POLBSMN1; SMN2
SCHEMBL5203032 0.85 HTT (0.48) DRD2DRD4DRD3HTTHSD17B10
SCHEMBL4204011 0.77 PGR (0.62) DRD2DRD4DRD3HTTPOLB
SCHEMBL10133340 0.77 HSD17B10 (0.46) HTTHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL3064450 0.77 SMN1; SMN2 (0.60) HTTHSD17B10SMN1; SMN2ALDH1A1LMNA
SCHEMBL7094939 0.77 AR (0.71) DRD2DRD4DRD3SMN1; SMN2KEAP1
SCHEMBL10752259 0.77 SMN1; SMN2 (0.55) DRD2DRD4DRD3HSD17B10POLB
SCHEMBL309673 0.76 LMNA (0.60) DRD2DRD4DRD3HTTPOLB
SCHEMBL5200592 0.75 KDM4E (0.45) DRD2DRD4DRD3HSD17B10POLB
SCHEMBL509575 0.75 FFAR1 (0.48) HTTHSD17B10SMN1; SMN2ALDH1A1HPGD

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