SCHEMBL7142007

SCHEMBL7142007

Nc1ccc(S(=O)(=O)c2cc(I)nc(N3CCCC3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.71
HTR2A P28223 1/20 0.71
HTR1D P28221 1/20 0.58
HTR2C P28335 1/20 0.58
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
PIK3CA P42336 4/20 0.41
AKT1 P31749 1/20 0.41
MTOR P42345 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH4 Q9H3N8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL782195 0.83 HTR6 (1.00) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7136700 0.83 HTR6 (0.71) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL30516397 0.83 HTR6 (1.00) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7139887 0.82 HTR6 (0.62) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7141379 0.80 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7142618 0.80 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7137383 0.80 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7137232 0.80 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7138600 0.79 HTR6 (0.65) HTR6HTR2AHTR1DHTR2CLMNA
SCHEMBL7145666 0.78 HTR6 (0.64) HTR6HTR2AHTR1DHTR2CLMNA

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-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 EP claimed
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 claimed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP claimed
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