SCHEMBL7140758

SCHEMBL7140758

Nc1ccc(S(=O)(=O)c2cc(-c3ccc(Cl)cc3)nc(N3CCCC3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.62
HTR2A P28223 1/20 0.62
HTR1D P28221 1/20 0.52
HTR2C P28335 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PIK3CA P42336 9/20 0.49
AKT1 P31749 2/20 0.49
MTOR P42345 1/20 0.49
HRH4 Q9H3N8 2/20 0.47
MAPT P10636 2/20 0.47
PIK3C3 Q8NEB9 3/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX12 P18054 1/20 0.41
PRMT1 Q99873 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7143714 0.88 HTR6 (0.62) HTR6HTR2AHTR1DHTR2CMEN1
SCHEMBL7140658 0.88 HTR6 (0.62) HTR6HTR2AHTR1DHTR2CMEN1
SCHEMBL7138600 0.88 HTR6 (0.65) HTR6HTR2AHTR1DHTR2CKMT2A
SCHEMBL7140803 0.87 HTR6 (0.59) HTR6HTR2AHTR1DHTR2CMEN1
SCHEMBL7138402 0.85 HTR6 (0.59) HTR6HTR2AHTR1DHTR2CMEN1
SCHEMBL7143666 0.84 HTR6 (0.60) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7136657 0.82 HTR6 (0.61) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7136700 0.82 HTR6 (0.71) HTR6HTR2AHTR1DHTR2CMEN1
SCHEMBL7142882 0.81 HTR6 (0.60) HTR6HTR2AHTR1DHTR2CPIK3CA
SCHEMBL7143107 0.81 HTR6 (0.59) HTR6HTR2AHTR1DHTR2CMEN1

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