SCHEMBL21218371

SCHEMBL21218371

N#Cc1cccc(SNc2cc(-c3ccccc3)cc3cc[nH]c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.47
▸ CHUK O15111 2/20 0.47
▸ RIPK1 Q13546 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACLY P53396 3/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 3/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ XDH P47989 1/20 0.33

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
SCHEMBL21218475 0.84 IKBKB (0.39) IKBKBCHUKBRD4MAPK1SMN1; SMN2
SCHEMBL21218410 0.80 DYRK1A (0.36) L3MBTL1ACLYIDO1ADORA2AADORA1
SCHEMBL21218367 0.76 ACLY (0.61) IKBKBCHUKBRD4ACLY
SCHEMBL21218359 0.72 BRD4 (0.39) IKBKBCHUKBRD4MAPK1SMN1; SMN2
SCHEMBL28783302 0.68 IKBKB (0.51) IKBKBCHUKACLYAXLCDK8
SCHEMBL21218164 0.67 DYRK1A (0.47) MAPK1SMN1; SMN2HSD17B10L3MBTL1IDO1
SCHEMBL21920740 0.67 IMPDH2 (0.44) IKBKBCHUKRIPK1BRD4IMPDH2
SCHEMBL21218363 0.65 CRBN (0.50) IDO1
SCHEMBL25924559 0.64 CRBN (0.60) —
SCHEMBL4685194 0.64 IKBKB (1.00) IKBKBCHUKBRD4CDK8XDH

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-2019147783-A1 SULFONAMIDE DERIVATIVES FOR PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-01 — — WO disclosed
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