SCHEMBL14005226

SCHEMBL14005226

Cc1ccc(S(=O)(=O)n2ccc(CCBr)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
GRM4 Q14833 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
PKM P14618 4/20 0.39
ALDH1A1 P00352 3/20 0.38
MMP2 P08253 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 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
SCHEMBL13891891 0.91 HTR6 (0.50) HTR6CA1CA2GRM4RAPGEF4
SCHEMBL21806794 0.88 CA1 (0.54) HTR6CA1CA2GRM4RAPGEF4
SCHEMBL4227579 0.85 HTR6 (0.52) HTR6CA1CA2GRM4RAPGEF4
SCHEMBL4223924 0.85 HTR6 (0.52) HTR6CA1CA2GRM4RAPGEF4
SCHEMBL13891892 0.82 HTR6 (0.50) HTR6CA1CA2GRM4RAPGEF4
SCHEMBL4521506 0.81 CA1 (0.54) HTR6CA1CA2GRM4RAPGEF4
SCHEMBL18920680 0.81 HTR6 (0.52) HTR6CA1CA2GRM4PKM
SCHEMBL14726924 0.80 CA1 (0.53) HTR6CA1CA2GRM4RAPGEF4
SCHEMBL13891894 0.79 HTR6 (0.47) HTR6CA1CA2GRM4RAPGEF4
SCHEMBL14005233 0.78 HTR6 (0.46) HTR6CA1CA2GRM4RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446186-B2 Pyrroles substituted by oligonucleotides BIOMERIEUX (FR) 2008-11-04 US disclosed
US-7446186-B2 Pyrroles substituted by oligonucleotides BIOMERIEUX (FR) 2008-11-04 US disclosed