SCHEMBL16656644

SCHEMBL16656644

CS(=O)(=O)c1cc(CF)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
PLCG1 P19174 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
GSTO1 P78417 2/20 0.31
PTPN1 P18031 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL1017170 0.83 EDNRB (0.37) EDNRBEDNRAPLCG1L3MBTL1CA1
SCHEMBL27488000 0.80 EDNRB (0.35) EDNRBEDNRAPLCG1L3MBTL1CA1
SCHEMBL1272338 0.75 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL30488778 0.75 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL4157506 0.74 LMNA (0.47) EDNRBEDNRACA2ALDH1A1HSP90AA1
SCHEMBL5174336 0.72 L3MBTL1 (0.39) EDNRBEDNRAL3MBTL1CA1CA2
SCHEMBL15746567 0.71 KMT2A (0.34) L3MBTL1ALDH1A1
SCHEMBL23148806 0.71 TSHR (0.53) ALDH1A1
SCHEMBL30019925 0.71 TSHR (0.53) ALDH1A1
SCHEMBL15009785 0.70 ALOX5AP (0.43) L3MBTL1ALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed