SCHEMBL30632883

SCHEMBL30632883

[N-]=[N+]=NCCCCc1ccc(NCc2coc(/C=C/c3ccc(Br)cc3F)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.45

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
SCHEMBL22398252 1.00 ERBB2 (0.45) ERBB2
SCHEMBL24112039 0.88 ERBB2 (0.49) ERBB2
SCHEMBL24111983 0.87 ERBB2 (0.48) ERBB2
SCHEMBL22398063 0.80 ERBB2 (0.48) ERBB2
SCHEMBL26316616 0.79 ERBB2 (0.60) ERBB2
SCHEMBL22398254 0.78 ERBB2 (0.67) ERBB2
SCHEMBL22398256 0.78 ERBB2 (0.67) ERBB2
SCHEMBL26316720 0.75 ERBB2 (0.44) ERBB2
SCHEMBL22398300 0.73 ERBB2 (0.51) ERBB2
SCHEMBL22398298 0.73 ERBB2 (0.51) ERBB2

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-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 CN disclosed