SCHEMBL31415099

SCHEMBL31415099

N#CC(C#N)=C1/C(=C/Br)C(=O)c2cc3cc4ccccc4cc3cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
EGFR P00533 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
USP8 P40818 1/20 0.30
USP7 Q93009 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL25747893 0.80 MAPT (0.35) MAPTPKMALDH1A1GAAEGFR
SCHEMBL21938951 0.79 MAPT (0.42) MAPTPKMALDH1A1GAAEGFR
SCHEMBL21938640 0.75 MAPT (0.40) MAPTPKMALDH1A1GAAEGFR
SCHEMBL24960476 0.71 MAPT (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL22109491 0.70 MAPT (0.42) MAPTPKMALDH1A1GAAEGFR
SCHEMBL25747895 0.70 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAEGFR
SCHEMBL25906120 0.70 ALDH1A1 (0.36) MAPTPKMALDH1A1GAAEGFR
SCHEMBL20365626 0.70 TDP2 (0.42) MAPTPKMALDH1A1GAAMEN1
SCHEMBL20365624 0.70 TDP2 (0.42) MAPTPKMALDH1A1GAAMEN1
SCHEMBL470766 0.69 ALDH1A1 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638718-A Metal complex acceptor material, preparation method thereof and photoelectric device 北京大学深圳研究生院 2025-03-18 CN disclosed