SCHEMBL7824422

SCHEMBL7824422

COc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP2C19 P33261 2/20 0.56
PDE4A P27815 1/20 0.56
AGO2 Q9UKV8 1/20 0.56
TSHR P16473 2/20 0.53
CDC7 O00311 1/20 0.53
EEF2K O00418 1/20 0.53
PLK4 O00444 1/20 0.53
AURKA O14965 1/20 0.53
DYRK3 O43781 1/20 0.53
RPS6KA5 O75582 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PIM1 P11309 1/20 0.53
PHKG2 P15735 1/20 0.53

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
SCHEMBL7826186 0.92 HTR6 (0.67) HTR6LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL17592905 0.84 SMN1; SMN2 (0.76) HTR6LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7823751 0.83 HTR6 (0.74) HTR6LMNAALDH1A1CYP3A4SMN1; SMN2
Sulphamoprine SCHEMBL93846 0.80 LMNA (0.67) HTR6LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8056189 0.80 HTR6 (0.84) HTR6ALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL11798939 0.80 LMNA (0.60) HTR6LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2176844 0.80 CYP2C19 (0.64) HTR6LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7836014 0.80 HTR6 (0.84) HTR6ALDH1A1CYP3A4SMN1; SMN2TDP1
Sulphamoprine SCHEMBL2430283 0.79 HTR6 (0.65) HTR6LMNAALDH1A1CYP3A4SMN1; SMN2
Sulphamoprine SCHEMBL28631928 0.79 HTR6 (0.65) HTR6LMNAALDH1A1CYP3A4SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815861-B1 Sulphonamides and their use HOFFMANN LA ROCHE (CH) 2001-09-19 EP disclosed
US-6030976-A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE, PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, MEMORY DISORDERS, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS AND HUNTINGTON'S DISEASE HOFFMAN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5998665-A THERAPY FOR NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-12-07 US disclosed
US-5939451-A INDOL-4-YL-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5932599-A 4-AMINO-N-(PYRIDINYL-4-YL)-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-03 US disclosed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed