SCHEMBL30003301

SCHEMBL30003301

Cc1cc2c(cc1C)C(=O)C(Cl)=C(Cl)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
DNMT1 P26358 1/20 0.48
DNMT3L Q9UJW3 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.48
CDC25B P30305 4/20 0.46
NQO1 P15559 3/20 0.43
POR P16435 3/20 0.43
CES1 P23141 3/20 0.42
MAPT P10636 3/20 0.42
CES2 O00748 2/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1863215 1.00 IDO1 (0.48) IDO1DNMT1DNMT3LDNMT3ACDC25B
SCHEMBL9627662 0.87 NQO1 (0.42) IDO1DNMT1DNMT3LDNMT3ACDC25B
SCHEMBL30003154 0.84 TDP2 (0.53) IDO1DNMT1DNMT3LDNMT3ACDC25B
SCHEMBL23271912 0.84 TDP2 (0.53) IDO1DNMT1DNMT3LDNMT3ACDC25B
SCHEMBL3420118 0.82 NQO1 (0.50) CDC25BNQO1PORCES1MAPT
SCHEMBL14884476 0.81 NQO1 (0.42) NQO1PORCES1MAPTKDM4E
SCHEMBL10421261 0.79 NQO1 (0.48) CDC25BNQO1PORCES1MAPT
SCHEMBL9751019 0.79 NQO1 (0.54) NQO1PORCES1MAPTCES2
SCHEMBL11059540 0.79 NQO1 (0.37) IDO1DNMT1DNMT3LDNMT3ACDC25B
SCHEMBL30002616 0.77 MAOA (0.56) CDC25BNQO1PORCES1MAPT

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