SCHEMBL8559545

SCHEMBL8559545

CC(C)OC(=O)c1scc(Br)c1OS(=O)(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
COMT P21964 1/20 0.32
CA7 P43166 3/20 0.32
CA14 Q9ULX7 3/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
F10 P00742 1/20 0.31
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL7468005 0.86 ALDH1A1 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL7471026 0.86 COMT (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL7470076 0.84 MAPK8 (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL7478305 0.84 COMT (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL7472790 0.84 KDM4E (0.42) ALDH1A1HPGDLMNAKDM4EPOLB
SCHEMBL7471165 0.83 PRKCI (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL7473950 0.82 LMNA (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL7471650 0.81 ADORA2B (0.31) CA12CA1CA2CA9ALDH1A1
SCHEMBL7472825 0.80 ALDH1A1 (0.30) ALDH1A1HPGDLMNA
SCHEMBL7472780 0.80 MAPT (0.39) ALDH1A1HPGDLMNAGSK3BKDM4E

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
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed