SCHEMBL7824884

SCHEMBL7824884

CNc1cc(NS(=O)(=O)c2ccc(F)cc2)nc(NC)n1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.74
▸ MAPT P10636 2/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ CYP3A4 P08684 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ KDM4E B2RXH2 1/20 0.72
▸ APEX1 P27695 1/20 0.72
▸ BLM P54132 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ HSD11B1 P28845 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ PPIA P62937 1/20 0.43

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
SCHEMBL7836607 0.87 MAPT (0.58) HTR6MAPTRAB9AALDH1A1CYP3A4
SCHEMBL7836254 0.87 HTR6 (0.76) HTR6MAPTRAB9AALDH1A1CYP3A4
SCHEMBL7824099 0.85 HTR6 (0.74) HTR6MAPTRAB9AALDH1A1CYP3A4
SCHEMBL678897 0.85 HTR6 (1.00) HTR6MAPTRAB9AALDH1A1CYP3A4
SCHEMBL7837566 0.85 HTR6 (0.74) HTR6MAPTRAB9AALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8054947 0.84 MAPT (1.00) HTR6MAPTRAB9AALDH1A1CYP3A4
SCHEMBL7836431 0.83 ALDH1A1 (0.71) HTR6MAPTRAB9AALDH1A1CYP3A4
SCHEMBL4639504 0.81 HTR6 (0.67) HTR6MAPTRAB9AALDH1A1CYP3A4
SCHEMBL7824814 0.77 HTR6 (0.59) HTR6MAPTRAB9AALDH1A1CYP3A4
SCHEMBL7835675 0.76 HTR6 (0.61) HTR6MAPTRAB9AALDH1A1CYP3A4

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
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