SCHEMBL30003603

SCHEMBL30003603

O=C1C=C(Cl)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.61
AURKB Q96GD4 2/20 0.61
MAPT P10636 6/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 5/20 0.59
RECQL P46063 5/20 0.59
MAPK1 P28482 4/20 0.59
POLB P06746 4/20 0.59
ALDH1A1 P00352 3/20 0.59
USP2 O75604 3/20 0.59
BLM P54132 3/20 0.59
TXNRD1 Q16881 2/20 0.59
THRB P10828 2/20 0.59
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PIM1 P11309 1/20 0.53

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
SCHEMBL196998 1.00 AURKA (0.61) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL9282104 0.91 MAPT (0.55) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL23271666 0.78 AURKA (0.47) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL30002972 0.78 AURKA (0.47) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL5818746 0.77 MAPT (0.63) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL29791770 0.77 MAPT (0.63) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL30004050 0.76 AURKA (0.74) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL5084612 0.76 AURKA (0.74) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL2957896 0.76 AURKA (1.00) AURKAAURKBMAPTKMT2AMEN1
SCHEMBL9271153 0.74 P4HB (0.61) AURKAAURKBMAPTKMT2AMEN1

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