SCHEMBL21173228

SCHEMBL21173228

C/C=C1\C(=O)c2ccc(Cl)cc2C1=C(C#N)C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 2/20 0.40
USP7 Q93009 2/20 0.40
S100A4 P26447 2/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
USP47 Q96K76 1/20 0.38
HSP90AA1 P07900 1/20 0.36
GABRA1 P14867 4/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 2/20 0.33
PPOX P50336 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TGM2 P21980 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL21173223 0.94 S100A4 (0.43) USP8USP7S100A4MAPTPKM
SCHEMBL21173224 0.84 LCK (0.36) MAPTPKMALDH1A1GAAMEN1
SCHEMBL25656471 0.84 LCK (0.36) MAPTPKMALDH1A1GAAMEN1
SCHEMBL21173226 0.83 MAPT (0.39) USP8USP7MAPTPKMALDH1A1
SCHEMBL21173229 0.83 PKM (0.39) MAPTPKMALDH1A1GAAMEN1
SCHEMBL2681526 0.80 S100A4 (0.42) USP8USP7S100A4MAPTPKM
SCHEMBL2681524 0.80 S100A4 (0.42) USP8USP7S100A4MAPTPKM
SCHEMBL16977316 0.80 S100A4 (0.42) USP8USP7S100A4MAPTPKM
SCHEMBL25747895 0.80 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAEGFR
SCHEMBL21851277 0.79 USP8 (0.36) USP8USP7S100A4MAPTPKM

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-2019137354-A1 THIOPHENE-BASED FUSED AROMATIC SYSTEMS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-07-18 WO disclosed