Sugi Predict

Sugi Predict / Compounds / SCHEMBL5041137

SCHEMBL5041137

SCHEMBL5041137

CC(C)(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 17/20 0.56
▸ KCNH2 Q12809 6/20 0.51
▸ SLC6A5 Q9Y345 2/20 0.51
▸ PKM P14618 1/20 0.50
▸ SLC6A7 Q99884 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49

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
SCHEMBL5041696 0.87 SLC6A9 (0.75) SLC6A9KCNH2SLC6A5
SCHEMBL5040981 0.86 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5PKMSLC6A7
SCHEMBL5043451 0.84 SLC6A9 (0.59) SLC6A9KCNH2SLC6A5
SCHEMBL4435757 0.82 SLC6A9 (0.67) SLC6A9PKMSLC6A7CA12CA1
SCHEMBL5041148 0.80 SLC6A9 (0.77) SLC6A9KCNH2SLC6A5
SCHEMBL5047471 0.80 SLC6A9 (0.77) SLC6A9KCNH2SLC6A5
SCHEMBL27669155 0.79 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL5043147 0.79 SLC6A9 (0.79) SLC6A9KCNH2SLC6A5
SCHEMBL5037687 0.78 SLC6A9 (0.69) SLC6A9KCNH2
SCHEMBL5040921 0.77 SLC6A9 (0.59) SLC6A9KCNH2

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
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed