SCHEMBL7143397

SCHEMBL7143397

CC(=O)N(C)c1cc(Br)cc(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
HTR6 P50406 2/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
BCAT1 P54687 1/20 0.36
TSPO P30536 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL7143701 0.86 HTR6 (0.47) KMT2AHTR6SMN1; SMN2ALDH1A1LMNA
SCHEMBL7136667 0.83 KMT2A (0.48) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL7140750 0.77 KMT2A (0.38) KMT2AMAPTALDH1A1ALOX15HSD17B10
SCHEMBL7140746 0.77 KMT2A (0.38) KMT2AMAPTALDH1A1ALOX15HSD17B10
SCHEMBL7143403 0.76 HTR6 (0.49) KMT2AHTR6MAPTALDH1A1GAA
(Phenylsulfonyl)Benzene SCHEMBL28738232 0.74 HTR6 (0.61) KMT2AHTR6MAPTSMN1; SMN2ALDH1A1
SCHEMBL7138321 0.72 ALDH1A1 (0.42) KMT2AALDH1A1ALOX15HSD17B10HDAC1
SCHEMBL7139891 0.71 NPC1 (0.48) KMT2AHTR6MAPTSMN1; SMN2ALDH1A1
(Phenylsulfonyl)Benzene SCHEMBL2381369 0.70 HTR6 (0.74) KMT2AHTR6MAPTSMN1; SMN2ALDH1A1
(Phenylsulfonyl)Benzene SCHEMBL29058880 0.70 HTR6 (0.74) KMT2AHTR6MAPTSMN1; SMN2ALDH1A1

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