SCHEMBL7835334

SCHEMBL7835334

CN(C)c1cc(NS(=O)(=O)c2ccc(N)cc2)nc(N(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP2C9 P11712 2/20 0.58
RAB9A P51151 1/20 0.58
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
APEX1 P27695 1/20 0.56
BLM P54132 1/20 0.56
PDE4A P27815 1/20 0.56
AGO2 Q9UKV8 1/20 0.56
LMNA P02545 4/20 0.51
ADRA1A P35348 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
HSD11B1 P28845 1/20 0.44
CDC7 O00311 1/20 0.44

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
SCHEMBL7837170 0.86 HTR6 (0.75) HTR6ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL7833846 0.85 HTR6 (0.54) HTR6ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL7834630 0.85 HTR6 (0.76) HTR6ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL7832410 0.83 L3MBTL1 (0.58) HTR6ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL7836079 0.82 L3MBTL1 (0.67) HTR6ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL2525520 0.80 HTR6 (0.49) HTR6ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL7824897 0.80 HTR6 (0.62) HTR6ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL1136466 0.80 CYP2C19 (0.64) HTR6ALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL7833239 0.79 HTR6 (0.48) HTR6ALDH1A1MAPTCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL8054954 0.78 CYP2C19 (0.62) HTR6ALDH1A1MAPTCYP3A4CYP2C19

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