SCHEMBL7835849

SCHEMBL7835849

CCNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NCC)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.72
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CDC7 O00311 1/20 0.52
EEF2K O00418 1/20 0.52
PLK4 O00444 1/20 0.52
AURKA O14965 1/20 0.52
DYRK3 O43781 1/20 0.52
RPS6KA5 O75582 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PIM1 P11309 1/20 0.52
PHKG2 P15735 1/20 0.52
CDK2 P24941 1/20 0.52
AKT1 P31749 1/20 0.52
AKT2 P31751 1/20 0.52
MAPK8 P45983 1/20 0.52

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
SCHEMBL7832372 0.95 HTR6 (0.82) HTR6L3MBTL1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7838509 0.91 HTR6 (0.66) HTR6L3MBTL1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7837794 0.84 HTR6 (0.72) HTR6L3MBTL1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL679027 0.84 HTR6 (1.00) HTR6ALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL7832815 0.83 L3MBTL1 (0.74) HTR6L3MBTL1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL8043492 0.82 HTR6 (0.97) HTR6ALDH1A1CYP3A4SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL8056250 0.82 L3MBTL1 (0.72) HTR6L3MBTL1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7826353 0.81 HTR6 (0.78) HTR6L3MBTL1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7832410 0.80 L3MBTL1 (0.58) HTR6L3MBTL1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7825724 0.78 L3MBTL1 (0.68) HTR6L3MBTL1ALDH1A1CYP3A4SMN1; 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 8 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 claimed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP claimed
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