SCHEMBL21865577

SCHEMBL21865577

O=C(O)C1CC(F)C(S)CC1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.37
GABRR2 P28476 1/20 0.32
CHRNB2 P17787 4/20 0.31
CHRNA3 P32297 4/20 0.31
CHRNA4 P43681 4/20 0.31
CHRNB3 Q05901 4/20 0.31
CHRNA6 Q15825 4/20 0.31
ACE P12821 2/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
LMNA P02545 1/20 0.30
APEX1 P27695 1/20 0.30
GRM5 P41594 1/20 0.30
PMP22 Q01453 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30
GRM4 Q14833 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
SCHEMBL9941707 0.83
SCHEMBL1463728 0.83
SCHEMBL11939917 0.83
SCHEMBL1578014 0.83
SCHEMBL8932029 0.83
SCHEMBL24868052 0.83
SCHEMBL1707149 0.83
SCHEMBL18398206 0.83
SCHEMBL1463730 0.83
SCHEMBL7186214 0.83

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
WO-2020052509-A1 SULFONAMIDE COMPOUND SERVING AS SODIUM CHANNEL BLOCKER AND USES THEREOF 成都康弘药业集团股份有限公司 2020-03-19 WO disclosed