SCHEMBL7140637

SCHEMBL7140637

CNc1cc(Br)cc(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.47
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
IDO1 P14902 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
PGR P06401 1/20 0.38
TNNI3K Q59H18 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
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
SCHEMBL7140761 0.84 HTR6 (0.67) HTR6ALDH1A1TSHRKMT2AMEN1
SCHEMBL13169865 0.79 HTR6 (0.54) HTR6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL6976640 0.76 HTR6 (0.61) HTR6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL24269914 0.75 HTR6 (0.51) HTR6ALDH1A1SMN1; SMN2TNNI3KTSHR
SCHEMBL24270033 0.75 HTR6 (0.47) HTR6ALDH1A1TNNI3KHPGDTP53
(Phenylsulfonyl)Benzene SCHEMBL11592754 0.73 HTR6 (0.78) HTR6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL11317837 0.72 SMN1; SMN2 (0.56) HTR6MAPTALDH1A1SMN1; SMN2TNNI3K
SCHEMBL3831593 0.72 HTR6 (0.61) HTR6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL29945255 0.72 HTR6 (0.61) HTR6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL7139519 0.71 HTR6 (0.74) HTR6MAPTALDH1A1POLBSMN1; SMN2

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