SCHEMBL30003366

SCHEMBL30003366

Cc1cccc2c1C(=O)C=C(Cl)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A1 P04798 2/20 0.46
TP53 P04637 2/20 0.46
HSPD1 P10809 2/20 0.46
HPGD P15428 2/20 0.46
CDC25A P30304 2/20 0.46
CDC25B P30305 2/20 0.46
BLM P54132 2/20 0.46
HSPE1 P61604 2/20 0.46
TST Q16762 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL23271871 1.00 AURKA (0.50) AURKAAURKBALDH1A1MAPTCYP1A2
SCHEMBL30002968 0.81 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP3A4MAPK1
SCHEMBL5805855 0.81 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP3A4MAPK1
SCHEMBL30003334 0.81 AURKA (0.53) AURKAAURKBALDH1A1MAPTCYP1A2
SCHEMBL9627478 0.81 AURKA (0.53) AURKAAURKBALDH1A1MAPTCYP1A2
SCHEMBL30002641 0.79 ALDH1A1 (0.47) ALDH1A1MAPTCYP1A2CYP3A4MAPK1
SCHEMBL23271937 0.79 ALDH1A1 (0.47) ALDH1A1MAPTCYP1A2CYP3A4MAPK1
SCHEMBL5806297 0.78 MAPT (0.54) AURKAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL30003310 0.78 MAPT (0.54) AURKAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL30004050 0.78 AURKA (0.74) AURKAAURKBALDH1A1MAPTCYP1A2

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