SCHEMBL27453090

SCHEMBL27453090

CC(c1cc(Br)cc(S(=O)(=O)c2ccc(N)cc2)c1)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.48
LMNA P02545 4/20 0.44
MPO P05164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7136140 0.81 HTR6 (0.48) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL8529475 0.77 HTR6 (0.39) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7135317 0.77 HTR6 (0.53) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7192584 0.75 HTR6 (0.62) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL8529471 0.74 HTR6 (0.39) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7136141 0.72 HTR6 (0.48) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL27453088 0.71 HTR6 (0.47) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7143701 0.71 HTR6 (0.47) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL7140761 0.71 HTR6 (0.67) HTR6LMNAMPOCYP3A4CYP2C9
SCHEMBL8529467 0.70 HTR6 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148356-C Benzosulfone derivatives - 2004-05-05 CN claimed
CN-1231287-A Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 1999-10-13 CN claimed
CN-1148356-C Benzosulfone derivatives - 2004-05-05 CN disclosed
CN-1231287-A Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 1999-10-13 CN disclosed