SCHEMBL7834367

SCHEMBL7834367

CCNc1nc(NC)cc(NS(=O)(=O)c2ccc(N)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.78
MAPT P10636 5/20 0.78
ALDH1A1 P00352 4/20 0.78
CYP3A4 P08684 3/20 0.78
CYP2C9 P11712 3/20 0.78
CYP2C19 P33261 1/20 0.78
RAB9A P51151 1/20 0.78
KDM4E B2RXH2 1/20 0.76
APEX1 P27695 1/20 0.76
BLM P54132 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
L3MBTL1 Q9Y468 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PDE4A P27815 1/20 0.53
AGO2 Q9UKV8 1/20 0.53
LMNA P02545 3/20 0.49
ADRA1A P35348 1/20 0.48
AURKA O14965 1/20 0.47
DHFR P00374 1/20 0.47

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
SCHEMBL7832815 0.92 L3MBTL1 (0.74) HTR6MAPTALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8056250 0.91 L3MBTL1 (0.72) HTR6MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL7826353 0.90 HTR6 (0.78) HTR6MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL678897 0.88 HTR6 (1.00) HTR6MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL7835971 0.88 HTR6 (0.83) HTR6MAPTALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8054947 0.87 MAPT (1.00) HTR6MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL7839439 0.86 L3MBTL1 (0.66) HTR6MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL7823473 0.86 L3MBTL1 (0.69) HTR6MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL7836079 0.85 L3MBTL1 (0.67) HTR6MAPTALDH1A1CYP3A4CYP2C9
SCHEMBL7835135 0.84 HTR6 (1.00) HTR6MAPTALDH1A1CYP3A4CYP2C9

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