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SCHEMBL22397992

SCHEMBL22397992

O=C(O)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.64
▸ MINK1 Q8N4C8 1/20 0.64
▸ CYSLTR1 Q9Y271 3/20 0.39
▸ FFAR1 O14842 3/20 0.37
▸ PLA2G4A P47712 6/20 0.35
▸ EP300 Q09472 3/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX5 P09917 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
SCHEMBL28475221 0.93 ERBB2 (0.60) ERBB2MINK1CYSLTR1FFAR1EP300
SCHEMBL28475225 0.93 ERBB2 (0.60) ERBB2MINK1CYSLTR1FFAR1EP300
SCHEMBL6582279 0.90 ERBB2 (0.68) ERBB2MINK1FFAR1
SCHEMBL6582276 0.90 ERBB2 (0.68) ERBB2MINK1FFAR1
SCHEMBL22398061 0.88 ERBB2 (0.66) ERBB2MINK1FFAR1
SCHEMBL22398264 0.88 ERBB2 (0.66) ERBB2MINK1FFAR1
SCHEMBL22397958 0.88 ERBB2 (0.66) ERBB2MINK1FFAR1
SCHEMBL5385106 0.88 ERBB2 (0.66) ERBB2MINK1FFAR1
SCHEMBL5385109 0.88 ERBB2 (0.66) ERBB2MINK1FFAR1
SCHEMBL28900623 0.88 ERBB2 (0.66) ERBB2MINK1FFAR1

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-3704111-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2020-09-09 — — EP disclosed