SCHEMBL24960490

SCHEMBL24960490

N#CC(C#N)=C1/C(=C\I)C(=O)c2cc(C#N)c(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.40
USP7 Q93009 1/20 0.40
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 3/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21173225 0.84 USP8 (0.40) USP8USP7MAPTPKMALDH1A1
SCHEMBL25612614 0.84 USP8 (0.40) USP8USP7MAPTPKMALDH1A1
SCHEMBL25612604 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL21935906 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL24960476 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL24960478 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL23443608 0.81 EGFR (0.45) USP8USP7MAPTPKMALDH1A1
SCHEMBL23520690 0.78 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL20365624 0.78 TDP2 (0.42) USP8USP7MAPTPKMALDH1A1
SCHEMBL20365626 0.78 TDP2 (0.42) USP8USP7MAPTPKMALDH1A1

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-2023008376-A1 COMPOUND, COMPOSITION, AND PHOTOELECTRIC CONVERSION ELEMENT 住友化学株式会社 2023-02-02 WO disclosed