SCHEMBL22398152

SCHEMBL22398152

[CH2]Cc1cn(CCCCc2ccc(OCc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)cc2)nn1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.73
MINK1 Q8N4C8 1/20 0.73

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
SCHEMBL5751224 0.92 ERBB2 (0.73) ERBB2MINK1
SCHEMBL5751230 0.92 ERBB2 (0.73) ERBB2MINK1
SCHEMBL24112024 0.91 ERBB2 (0.72) ERBB2MINK1
SCHEMBL24111971 0.91 ERBB2 (0.72) ERBB2MINK1
SCHEMBL28469234 0.91 ERBB2 (0.72) ERBB2MINK1
SCHEMBL24111968 0.91 ERBB2 (0.71) ERBB2MINK1
SCHEMBL22397962 0.90 ERBB2 (0.70) ERBB2MINK1
SCHEMBL28475572 0.90 ERBB2 (0.70) ERBB2MINK1
SCHEMBL22843941 0.90 ERBB2 (0.74) ERBB2MINK1
SCHEMBL22398181 0.89 ERBB2 (0.58) ERBB2MINK1

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