SCHEMBL30003189

SCHEMBL30003189

Cc1cc2c(cc1C)C(=O)C(Cl)=CC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
NQO1 P15559 3/20 0.37
POR P16435 3/20 0.37
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
USP2 O75604 2/20 0.33
GAA P10253 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP1A2 P05177 2/20 0.33
PLIN1 O60240 1/20 0.33
NR1I2 O75469 1/20 0.33
GSR P00390 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 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
SCHEMBL9628367 1.00 AURKA (0.39) AURKAAURKBNQO1PORMEN1
SCHEMBL30003509 0.82 AURKA (0.41) AURKAAURKBMEN1ALDH1A1MAPT
SCHEMBL23271723 0.82 AURKA (0.41) AURKAAURKBMEN1ALDH1A1MAPT
SCHEMBL7813015 0.78 MAOA (0.53) AURKAAURKBNQO1PORMEN1
SCHEMBL7815913 0.78 MAOA (0.53) AURKAAURKBNQO1PORMEN1
SCHEMBL30002710 0.78 MAOA (0.53) AURKAAURKBNQO1PORMEN1
SCHEMBL9627487 0.77 MAPT (0.56) NQO1PORMEN1ALDH1A1MAPT
SCHEMBL30002691 0.77 MAPT (0.56) NQO1PORMEN1ALDH1A1MAPT
SCHEMBL8661355 0.75 GAPDH (0.49) AURKAAURKBMEN1ALDH1A1MAPT
SCHEMBL8993580 0.74 XIAP (0.39) NQO1PORMEN1ALDH1A1MAPT

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