SCHEMBL30002972

SCHEMBL30002972

O=C1C(Cl)=CC(=O)c2c(O)c(O)cc(O)c21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.47
AURKB Q96GD4 2/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
MAPK1 P28482 4/20 0.47
RECQL P46063 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 3/20 0.47
BRCA1 P38398 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX12 P18054 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAOA P21397 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TTR P02766 1/20 0.47
CYP1A1 P04798 1/20 0.47

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
SCHEMBL23271666 1.00 AURKA (0.47) AURKAAURKBMEN1MAPTKMT2A
SCHEMBL30003545 0.80 MAPT (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5816866 0.80 MAPT (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL30003603 0.78 AURKA (0.61) AURKAAURKBMEN1MAPTKMT2A
SCHEMBL196998 0.78 AURKA (0.61) AURKAAURKBMEN1MAPTKMT2A
SCHEMBL30004100 0.77 MEN1 (0.47) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL23271692 0.77 MAPT (0.63) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL30003519 0.77 MAPT (0.63) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL23271729 0.77 MEN1 (0.47) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL23271813 0.75 MAPT (0.59) AURKAAURKBMEN1MAPTKMT2A

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