SCHEMBL21780485

SCHEMBL21780485

FC(F)(F)Oc1ccc(-c2ccc3c(c2)SNCCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SCN5A Q14524 4/20 0.41
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
NISCH Q9Y2I1 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MARK3 P27448 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCD Q05655 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38

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
SCHEMBL14480723 0.75 CA12 (0.42) CA12CA9SCN5ASCN1ASCN4A
SCHEMBL22563247 0.74 CA12 (0.41) CA12CA9SCN5ASCN1ASCN4A
SCHEMBL29805916 0.73 FABP6 (0.56) CA12CA9SCN5ASCN1ASCN4A
SCHEMBL14480649 0.73 FABP6 (0.56) CA12CA9SCN5ASCN1ASCN4A
SCHEMBL22563264 0.72 CA12 (0.40) CA12CA9SCN5ASCN1ASCN4A
SCHEMBL14480828 0.72 CA12 (0.48) CA12CA9SCN5ASCN1ASCN4A
SCHEMBL21780434 0.72 KCNH2 (0.46) CA12CA9SCN5ASCN1ASCN4A
SCHEMBL14481253 0.68 KCNH2 (0.54) CA12CA9SCN5ASCN1ASCN4A
SCHEMBL807159 0.66 ABL1 (0.38) SCN5ASCN1ASCN4AKCNH2SCN9A
SCHEMBL30966000 0.66 GRM5 (0.50) CA12CA9SCN5ASCN1ASCN4A

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-3085696-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-03-04 EP disclosed