SCHEMBL4281249

SCHEMBL4281249

Cc1ccc(S(=O)(=O)n2cccc2CCCBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 7/20 0.67
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
AGTR1 P30556 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTR6 P50406 2/20 0.40
POLB P06746 1/20 0.40
ALDH3A1 P30838 1/20 0.40
HTT P42858 1/20 0.40
NOD1 Q9Y239 1/20 0.40
KDM4E B2RXH2 1/20 0.38
UBE2N P61088 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL28592804 0.85 RAPGEF4 (0.74) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL6259796 0.82 RAPGEF4 (0.70) RAPGEF4CA1CA2AGTR1L3MBTL1
SCHEMBL28324390 0.82 RAPGEF4 (0.70) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL15175998 0.80 RAPGEF4 (1.00) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL5534938 0.79 RAPGEF4 (0.74) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL29179097 0.79 RAPGEF4 (0.74) RAPGEF4CA1CA2AGTR1L3MBTL1
SCHEMBL4316973 0.79 RAPGEF4 (0.65) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL30877502 0.78 RAPGEF4 (0.63) RAPGEF4CA1CA2AGTR1L3MBTL1
SCHEMBL38660600 0.77 RAPGEF4 (0.70) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL14725561 0.77 RAPGEF4 (0.70) RAPGEF4CA1CA2L3MBTL1HTR6

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-20090095624-A1 Electroactive complex, electroactive probe and preparation method BIOMERIEUX (FR) 2009-04-16 US disclosed
US-20040209252-A1 Electroactive complex, electroactive probe and preparation method BIO MERIEUX (FR) 2004-10-21 US disclosed