SCHEMBL5206375

SCHEMBL5206375

CS(=O)(=O)Nc1cc(OCC#N)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP19A1 P11511 5/20 0.51
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
PTK2B Q14289 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD4 P21917 1/20 0.41
ADRB3 P13945 1/20 0.41
ESRRA P11474 1/20 0.41

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
SCHEMBL11114931 0.90 AR (0.63) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3287743 0.81 NPC1 (0.52) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5146543 0.80 CYP19A1 (0.57) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1936782 0.80 SMN1; SMN2 (0.48) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6480570 0.80 SMN1; SMN2 (0.48) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5200592 0.78 KDM4E (0.45) NPC1HPGDRAB9ASMN1; SMN2DRD2
SCHEMBL1437459 0.78 MAOB (0.52) HPGDSMN1; SMN2MAOBALDH1A1MAPK1
SCHEMBL5203042 0.78 CYP19A1 (0.64) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL23226755 0.77 CYP19A1 (0.54) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8603325 0.77 CYP19A1 (0.54) ARNPC1HPGDRAB9ASMN1; SMN2

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