SCHEMBL5201409

SCHEMBL5201409

CS(=O)(=O)N(OC(=O)C(=O)OCS(=O)(=O)Nc1cccc(OCc2c[nH]cn2)c1)c1cccc(OCc2c[nH]cn2)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
F2 P00734 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL5206663 0.76 DRD2 (0.48) CYSLTR2CYSLTR1SMN1; SMN2NPC1RAB9A
Oxalic Acid SCHEMBL5201396 0.75 DRD2 (0.47) CYSLTR2CYSLTR1SMN1; SMN2NPC1RAB9A
SCHEMBL223576 0.68 APP (0.52) ALDH1A1
SCHEMBL7988366 0.63 F2 (0.38) HTTF2LMNA
SCHEMBL5612868 0.60 ADRA1A (0.59) SMN1; SMN2HTTNPC1RAB9AALDH1A1
SCHEMBL221820 0.59 LMNA (0.45) SMN1; SMN2HTTLMNAROCK2
SCHEMBL9502650 0.59 SLC6A4 (0.46) SMN1; SMN2HTTNPC1TP53RAB9A
SCHEMBL7103193 0.59 PARP1 (0.48) SMN1; SMN2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4427549 0.58 KCNH2 (0.55) CYSLTR2CYSLTR1SMN1; SMN2NPC1TP53
SCHEMBL10755026 0.57 CYSLTR1 (0.72) CYSLTR2CYSLTR1NPC1TP53ALDH1A1

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 3 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
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