SCHEMBL30003034

SCHEMBL30003034

COC1=CC(=O)c2cc(Cl)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
CDC25A P30304 1/20 0.61
CDC25B P30305 1/20 0.61
TDP2 O95551 2/20 0.54
NSD2 O96028 2/20 0.54
PTPN1 P18031 2/20 0.47
S100A4 P26447 3/20 0.47
GAPDH P04406 2/20 0.44
HKDC1 Q2TB90 3/20 0.43
HSP90AA1 P07900 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PAX8 Q06710 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9628282 1.00 IDO1 (0.61) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL7807732 0.93 IDO1 (0.61) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL9713780 0.84 IDO1 (0.50) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL9713379 0.83 S100A4 (0.44) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL9629343 0.82 CDC25B (0.51) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL31371001 0.81 TDP2 (0.47) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL5822222 0.81 IDO1 (0.62) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL9627801 0.81 CDC25A (0.62) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL30003084 0.81 IDO1 (0.62) IDO1CDC25ACDC25BTDP2NSD2
SCHEMBL30003368 0.80 IDO1 (0.56) IDO1CDC25ACDC25BTDP2NSD2

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