SCHEMBL4745893

SCHEMBL4745893

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.58
CA2 P00918 6/20 0.58
CA9 Q16790 6/20 0.58
GFER P55789 2/20 0.57
HTR7 P34969 1/20 0.54
PTGS2 P35354 3/20 0.53
PTGS1 P23219 2/20 0.53
CACNA1B Q00975 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4747985 0.92 CA1 (0.61) CA1CA2CA9GFERHTR7
SCHEMBL4743965 0.89 KMT2A (0.56) CA1CA2CA9GFERHTR7
SCHEMBL4743953 0.86 GFER (0.60) CA1CA2CA9GFERHTR7
SCHEMBL4743939 0.84 ALDH1A1 (0.61) CA1CA2CA9GFERHTR7
SCHEMBL4746657 0.83 CA1 (0.57) CA1CA2CA9GFERHTR7
SCHEMBL4743942 0.83 HTR7 (0.59) CA1CA2CA9GFERHTR7
SCHEMBL4744293 0.83 GFER (0.56) CA1CA2CA9GFERHTR7
SCHEMBL4745891 0.83 HTR7 (0.64) CA1CA2CA9GFERHTR7
SCHEMBL27881749 0.83 GFER (0.61) CA1CA2CA9GFERHTR7
SCHEMBL8103220 0.82 GFER (0.63) CA1CA2CA9GFERHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed