SCHEMBL21337289

SCHEMBL21337289

CC(C)CCOc1c(S(N)(=O)=O)ccc(F)c1C(=O)Nc1ccc(F)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.43
▸ KCNH2 Q12809 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ PPID Q08752 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL23677261 0.79 GRM4 (0.51) GRM4LRRK2CA1CA2CA9
SCHEMBL21337424 0.77 GRM4 (0.40) GRM4KCNH2ENPP1CA9
SCHEMBL22350418 0.75 GRM4 (0.39) GRM4KCNH2ENPP1CA9
SCHEMBL22350420 0.75 GRM4 (0.39) GRM4KCNH2ENPP1CA9
SCHEMBL22350536 0.75 GRM4 (0.39) GRM4KCNH2ENPP1CA9
SCHEMBL22350416 0.75 GRM4 (0.39) GRM4KCNH2ENPP1CA9
SCHEMBL22350290 0.74 GRM4 (0.37) GRM4KCNH2ENPP1CA9
SCHEMBL22350289 0.74 GRM4 (0.37) GRM4KCNH2ENPP1CA9
SCHEMBL21623540 0.71 CYP1A2 (0.65) GRM4KCNH2LRRK2ENPP1CA1
SCHEMBL21623212 0.69 GRM4 (0.49) GRM4KCNH2CA1CA2CA9

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-3317286-B1 CYCLIZED SULFAMOYLARYLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-09-11 — — EP disclosed
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