SCHEMBL7140761

SCHEMBL7140761

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.67
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
PKM P14618 2/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.42
NPC1 O15118 1/20 0.41
PRMT1 Q99873 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL7140637 0.84 HTR6 (0.47) HTR6LMNATSHRALDH1A1MEN1
SCHEMBL7136144 0.81 HTR6 (0.47) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7136181 0.81 HTR6 (0.46) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7192584 0.80 HTR6 (0.62) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL9806707 0.79 HTR6 (0.67) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7142023 0.78 HTR6 (0.53) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7135857 0.76 HTR6 (0.44) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7138913 0.76 HTR6 (0.48) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7135317 0.75 HTR6 (0.53) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7135366 0.75 HTR6 (0.60) HTR6LMNAMPOCYP3A4CYP2C9

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