SCHEMBL7143403

SCHEMBL7143403

CC(=O)N(C)c1cc(Br)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.49
C5AR1 P21730 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSPO P30536 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL31050328 0.78 FSCN1 (0.37) C5AR1ALDH1A1TSPOPOLBSIRT2
SCHEMBL6744261 0.77 HTR6 (0.77) HTR6
SCHEMBL7143397 0.76 KMT2A (0.42) HTR6GAAKDM4EALDH1A1TSPO
SCHEMBL6747480 0.75 HTR6 (0.58) HTR6ALDH1A1L3MBTL1
SCHEMBL6746883 0.74 HTR6 (0.71) HTR6
SCHEMBL6744492 0.72 HTR6 (0.54) HTR6
SCHEMBL14349335 0.71 ALOX15 (0.46) GAAKDM4EALDH1A1PKMHPGD
(Phenylsulfonyl)Benzene SCHEMBL28738232 0.69 HTR6 (0.61) HTR6GAAKDM4EALDH1A1PKM
SCHEMBL17871133 0.69 FSCN1 (0.54) KDM4EALDH1A1HPGDTSPOKMT2A
SCHEMBL16810 0.69 HSD11B1 (0.57) HTR6GAAPOLBGFERHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148356-C Benzosulfone derivatives - 2004-05-05 CN disclosed
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
CN-1231287-A Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 1999-10-13 CN disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP disclosed