SCHEMBL7142882

SCHEMBL7142882

Nc1ccc(S(=O)(=O)c2cc(-c3ccccc3Cl)nc(N3CCCC3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.60
HTR2A P28223 1/20 0.60
HTR1D P28221 1/20 0.50
HTR2C P28335 1/20 0.50
PIK3CA P42336 10/20 0.49
AKT1 P31749 2/20 0.49
PIK3C3 Q8NEB9 3/20 0.48
MTOR P42345 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL7135285 0.88 HTR6 (0.59) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7139483 0.86 HTR6 (0.60) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7138315 0.84 HTR6 (0.57) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7138600 0.83 HTR6 (0.65) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7140758 0.81 HTR6 (0.62) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7140803 0.81 HTR6 (0.59) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7136700 0.80 HTR6 (0.71) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7143666 0.80 HTR6 (0.60) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7138602 0.77 HTR6 (0.60) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7140658 0.77 HTR6 (0.62) HTR6HTR2AHTR1DHTR2CPIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 EP disclosed
US-5990105-A POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE HOFFMANN-LA ROCHE INC. (US) 1999-11-23 US disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP disclosed