SCHEMBL20042500

SCHEMBL20042500

N#C/C(N)=C1/CC(=O)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
BLM P54132 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
PIM1 P11309 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
HPGD P15428 2/20 0.33
MCL1 Q07820 1/20 0.32
MAOA P21397 1/20 0.31
USP8 P40818 2/20 0.31
S100A4 P26447 1/20 0.31
FURIN P09958 1/20 0.31
USP7 Q93009 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
SCHEMBL29444282 0.81 MAPT (0.38) ALDH1A1KDM4EBLMMAPTMEN1
SCHEMBL806906 0.81 MAPT (0.38) ALDH1A1KDM4EBLMMAPTMEN1
SCHEMBL14600848 0.80 S100A4 (0.35) ALDH1A1KDM4EBLMMAPTMEN1
SCHEMBL30464047 0.80 MAPT (0.37) ALDH1A1KDM4EBLMMAPTMEN1
Ammonia Solution, Strong SCHEMBL29011557 0.80 MAPT (0.37) ALDH1A1KDM4EBLMMAPTMEN1
SCHEMBL20042492 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EBLMMAPTMEN1
SCHEMBL10151497 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EBLMMAPTMEN1
SCHEMBL9970445 0.75 PIM1 (0.31) ALDH1A1KDM4EPIM1BCHECES1
SCHEMBL31607080 0.75 PIM1 (0.31) ALDH1A1KDM4EPIM1BCHECES1
Thiophene SCHEMBL18041209 0.73 MAPT (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523308-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2023-09-06 EP disclosed
WO-2018065350-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed
WO-2018065356-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed
WO-2018065352-A1 ORGANIC PHOTODETECTOR MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed