SCHEMBL21935906

SCHEMBL21935906

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL24960478 1.00 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL21173227 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL25656474 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL24960476 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL24960490 0.84 USP8 (0.40) MAPTPKMALDH1A1GAAEGFR
SCHEMBL25612604 0.84 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL23443608 0.81 EGFR (0.45) MAPTPKMALDH1A1GAAEGFR
SCHEMBL22109052 0.81 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAEGFR
SCHEMBL20821300 0.81 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAEGFR
SCHEMBL25759334 0.81 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021107674-A1 NOVEL COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME 경상국립대학교산학협력단 2021-06-03 WO disclosed
WO-2020085579-A1 NOVEL SPIRO COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME 경상대학교산학협력단 2020-04-30 WO disclosed