SCHEMBL8324146

SCHEMBL8324146

[O-][S+](c1ccccc1)n1cc(I)c2cc(-c3ccc(F)cc3F)cnc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.36
▸ GRM5 P41594 11/20 0.35
▸ CLK1 P49759 1/20 0.34
▸ TTR P02766 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31

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
SCHEMBL18902075 0.78 BRD4 (0.34) BRD4
SCHEMBL18902127 0.77 JAK2 (0.35) —
SCHEMBL13745655 0.74 BRD4 (0.58) SCN9ACLK1TTRBRD4FEN1
SCHEMBL8321216 0.74 SCN9A (0.36) SCN9AGRM5CLK1TTRBRD4
SCHEMBL8324896 0.65 BRD4 (0.60) SCN9AGRM5BRD4FEN1GRIN2B
SCHEMBL8321050 0.63 BRD4 (0.51) SCN9AGRM5BRD4ALOX5APFEN1
SCHEMBL18098819 0.62 DYRK1A (0.37) —
SCHEMBL13746314 0.62 DYRK1A (0.49) CLK1BRD4
SCHEMBL13609250 0.61 BRD4 (0.47) GRM5BRD4
SCHEMBL412228 0.61 MEN1 (0.49) TTRALOX5APFEN1ADORA2AADORA1

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-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 — — WO disclosed
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