SCHEMBL7141365

SCHEMBL7141365

COc1cc(OC)cc(S(=O)(=O)c2ccc(N)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.59
CYP3A4 P08684 2/20 0.59
LMNA P02545 2/20 0.59
MPO P05164 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
PKM P14618 4/20 0.59
CYP19A1 P11511 2/20 0.53
NQO2 P16083 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48
CA2 P00918 2/20 0.46
PTGS2 P35354 1/20 0.45

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
SCHEMBL10923791 0.86 PKM (0.79) HTR6CYP3A4LMNAMPOCYP2C9
SCHEMBL8865965 0.84 LMNA (0.56) HTR6CYP3A4LMNAMPOCYP2C9
SCHEMBL16797503 0.81 PKM (0.57) HTR6PKMALDH1A1GAA
SCHEMBL7136138 0.80 PKM (0.47) HTR6CYP3A4TSHRPKMCYP19A1
SCHEMBL27470882 0.80 PKM (0.47) HTR6TSHRPKMCYP19A1NQO2
SCHEMBL7144573 0.77 PTGS1 (0.62) LMNAPKMALDH1A1GAAMEN1
Dapsone SCHEMBL5055312 0.77 HTR6 (1.00) HTR6CYP3A4LMNAMPOCYP2C9
SCHEMBL324893 0.77 HTR6 (1.00) HTR6CYP3A4LMNAMPOCYP2C9
Dapsone SCHEMBL21428 0.77 HTR6 (1.00) HTR6CYP3A4LMNAMPOCYP2C9
Dapsone SCHEMBL1219599 0.77 HTR6 (1.00) HTR6CYP3A4LMNAMPOCYP2C9

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 13 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
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed
US-4118384-A DIAZOTIZATION BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed