SCHEMBL16400804

SCHEMBL16400804

FC(F)(F)Oc1ccccc1C(=S)S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.42
KCNK9 Q9NPC2 4/20 0.42
HSD11B1 P28845 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
F2R P25116 1/20 0.38
MGLL Q99685 1/20 0.36
GAA P10253 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PNLIP P16233 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
OPRM1 P35372 1/20 0.35
HCN1 O60741 1/20 0.34

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
SCHEMBL6893484 0.81 KCNK3 (0.42) KCNK3KCNK9HSD11B1RXFP1CYP11B1
SCHEMBL14127333 0.76 KCNK3 (0.48) KCNK3KCNK9HSD11B1RXFP1CYP11B1
SCHEMBL5784212 0.76 ELANE (0.52) KCNK3KCNK9HSD11B1RXFP1CYP11B1
SCHEMBL29374906 0.74 KDM4E (0.53) KCNK3KCNK9HSD11B1RXFP1CYP11B1
SCHEMBL16502057 0.74 KCNK3 (0.43) KCNK3KCNK9HSD11B1RXFP1CYP11B1
SCHEMBL6957926 0.74 KCNK3 (0.50) KCNK3KCNK9HSD11B1RXFP1CYP11B1
SCHEMBL219675 0.74 KDM4E (0.53) KCNK3KCNK9HSD11B1RXFP1CYP11B1
SCHEMBL6722687 0.74 KCNK3 (0.43) KCNK3KCNK9HSD11B1RXFP1CYP11B1
SCHEMBL15633018 0.74 CA1 (0.50) KCNK3KCNK9GAA
SCHEMBL4654446 0.73 RXRA (0.47) KCNK3KCNK9HSD11B1GAARXRA

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-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP disclosed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO disclosed