SCHEMBL7834458

SCHEMBL7834458

Nc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.65
KMT2A Q03164 2/20 0.61
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
HTT P42858 1/20 0.59
CA9 Q16790 1/20 0.59
KEAP1 Q14145 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PRMT1 Q99873 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 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
SCHEMBL24125035 0.85 HTR6 (0.73) HTR6KMT2ACA1CA2HTT
SCHEMBL4573594 0.84 CA1 (0.74) KMT2ACA1CA2HTTCA9
SCHEMBL3086764 0.84 CA1 (0.74) KMT2ACA1CA2HTTCA9
SCHEMBL7836889 0.83 HTR6 (0.71) HTR6KMT2ACA1CA2HTT
SCHEMBL5798619 0.81 KEAP1 (0.64) HTR6KMT2ACA1CA2CA9
SCHEMBL11793140 0.81 CA1 (0.85) HTR6KMT2ACA1CA2HTT
SCHEMBL540915 0.81 CA1 (0.85) HTR6KMT2ACA1CA2HTT
SCHEMBL7834044 0.80 HTR6 (0.72) HTR6KMT2ACA1CA2HTT
SCHEMBL7806199 0.79 HTR6 (0.64) HTR6KMT2ACA1CA2
SCHEMBL7838817 0.79 HTR6 (1.00) HTR6KMT2ACA1CA2HTT

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