SCHEMBL30003334

SCHEMBL30003334

O=C1C(Cl)=CC(=O)c2c(Cl)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
PTPRC P08575 2/20 0.43
NSD2 O96028 2/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
MAP2K7 O14733 1/20 0.41
TRPA1 O75762 1/20 0.41
RAF1 P04049 1/20 0.41
ERBB2 P04626 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL9627478 1.00 AURKA (0.53) AURKAAURKBPTPRCNSD2MAPT
SCHEMBL8663547 0.84 PTPRC (0.52) AURKAAURKBPTPRCNSD2MAPT
SCHEMBL18992139 0.81 MAPT (0.53) AURKAAURKBPTPRCNSD2MAPT
SCHEMBL29407083 0.81 MAPT (0.53) AURKAAURKBPTPRCNSD2MAPT
SCHEMBL30003107 0.81 MAPT (0.64) AURKAAURKBPTPRCNSD2MAPT
SCHEMBL23271713 0.81 S100A4 (0.46) AURKAAURKBPTPRCNSD2MAPT
SCHEMBL23271871 0.81 AURKA (0.50) AURKAAURKBPTPRCNSD2MAPT
SCHEMBL23271685 0.81 MAPT (0.64) AURKAAURKBPTPRCNSD2MAPT
SCHEMBL30004050 0.81 AURKA (0.74) AURKAAURKBMAPTALDH1A1KDM4E
SCHEMBL30003366 0.81 AURKA (0.50) AURKAAURKBPTPRCNSD2MAPT

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed