SCHEMBL7135366

SCHEMBL7135366

CNc1cc(Br)nc(S(=O)(=O)c2ccc(N)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.60
HTR2A P28223 1/20 0.48
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.42
TSHR P16473 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7137434 0.83 HTR6 (0.60) HTR6HTR2AHTR1DHTR2CCYP3A4
SCHEMBL7138902 0.82 ALDH1A1 (0.47) HTR6HSP90AA1MAPTALDH1A1RAB9A
SCHEMBL7141934 0.82 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CCYP3A4
SCHEMBL7135361 0.75 HTR6 (0.58) HTR6HTR2AHTR1DHTR2CCYP3A4
SCHEMBL7138620 0.75 HTR6 (1.00) HTR6HTR2AHTR1DHTR2CCYP3A4
SCHEMBL7140761 0.75 HTR6 (0.67) HTR6HTR2AHTR1DHTR2CCYP3A4
SCHEMBL7138609 0.73 HTR6 (1.00) HTR6HTR2AHTR1DHTR2CCYP3A4
SCHEMBL7137430 0.72 HTR6 (0.58) HTR6HTR2AHTR1DHTR2CCYP3A4
SCHEMBL9806707 0.72 HTR6 (0.67) HTR6CYP3A4CYP2C9LMNAMPO
SCHEMBL7836526 0.72 HTR6 (0.82) HTR6CYP3A4CYP2C9LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148356-C Benzosulfone derivatives - 2004-05-05 CN claimed
EP-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 EP claimed
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 claimed
CN-1231287-A Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 1999-10-13 CN claimed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP claimed
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