SCHEMBL7138402

SCHEMBL7138402

COc1ccc(-c2cc(S(=O)(=O)c3ccc(N)cc3)cc(N3CCCC3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.59
HTR2A P28223 1/20 0.59
HRH4 Q9H3N8 2/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
PIK3CA P42336 3/20 0.47
AKT1 P31749 1/20 0.47
MTOR P42345 1/20 0.47
MAPT P10636 4/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42

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
SCHEMBL7137463 0.88 HTR6 (0.56) HTR6HTR2AKDM4EHPGDHSD17B10
SCHEMBL7140658 0.87 HTR6 (0.62) HTR6HTR2AHRH4ALDH1A1HSD17B10
SCHEMBL7143714 0.85 HTR6 (0.62) HTR6HTR2AHRH4ALDH1A1KDM4E
SCHEMBL7140758 0.85 HTR6 (0.62) HTR6HTR2AHRH4HSD17B10HTR1D
SCHEMBL7138600 0.85 HTR6 (0.65) HTR6HTR2AHRH4HPGDHSD17B10
SCHEMBL7143666 0.83 HTR6 (0.60) HTR6HTR2AHSD17B10HTR1DHTR2C
SCHEMBL7138315 0.81 HTR6 (0.57) HTR6HTR2AALDH1A1KDM4EHPGD
SCHEMBL7136657 0.80 HTR6 (0.61) HTR6HTR2AHRH4HSD17B10HTR1D
SCHEMBL7140803 0.78 HTR6 (0.59) HTR6HTR2AALDH1A1HPGDHSD17B10
SCHEMBL7143107 0.78 HTR6 (0.59) HTR6HTR2AHSD17B10HTR1DHTR2C

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