SCHEMBL28547426

SCHEMBL28547426

CCS(=O)(=O)Oc1cc(Oc2cnc(SC)nc2)nc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 18/20 0.38
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL28547425 0.83 FURIN (0.41) FURINGAAHTT
SCHEMBL21551064 0.81 FURIN (0.41) FURINGAAHTT
SCHEMBL28548340 0.81 RXRA (0.34) LMNAMAPK1
SCHEMBL28539839 0.81 LMNA (0.33) GAALMNAMAPK1
SCHEMBL21551492 0.81 FURIN (0.42) FURIN
SCHEMBL28557690 0.80 FURIN (0.60) FURIN
SCHEMBL30931761 0.80 FURIN (0.44) FURINGAAHTT
SCHEMBL21551311 0.80 FURIN (0.44) FURINGAAHTT
SCHEMBL21551491 0.77 FURIN (0.38) FURINGAAHTT
SCHEMBL30931860 0.75 LMNA (0.45) FURINGAAHTTLMNA

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
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
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