SCHEMBL30003154

SCHEMBL30003154

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.53
NSD2 O96028 1/20 0.53
HK1 P19367 1/20 0.53
PAX8 Q06710 1/20 0.53
S100A4 P26447 2/20 0.42
NQO1 P15559 3/20 0.37
POR P16435 3/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
IDO1 P14902 1/20 0.34
DNMT1 P26358 1/20 0.34
DNMT3L Q9UJW3 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
CDC25B P30305 1/20 0.33
CD44 P16070 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CES1 P23141 1/20 0.32

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
SCHEMBL23271912 1.00 TDP2 (0.53) TDP2NSD2HK1PAX8S100A4
SCHEMBL1863215 0.84 IDO1 (0.48) NSD2S100A4NQO1PORCYP1A1
SCHEMBL30003301 0.84 IDO1 (0.48) NSD2S100A4NQO1PORCYP1A1
SCHEMBL30003014 0.82 NSD2 (0.56) TDP2NSD2HK1PAX8S100A4
SCHEMBL23271807 0.82 NSD2 (0.56) TDP2NSD2HK1PAX8S100A4
SCHEMBL7812173 0.80 TDP2 (0.60) TDP2NSD2HK1PAX8S100A4
SCHEMBL30003080 0.80 TDP2 (0.60) TDP2NSD2HK1PAX8S100A4
SCHEMBL7812020 0.80 TDP2 (0.60) TDP2NSD2HK1PAX8S100A4
SCHEMBL9627662 0.77 NQO1 (0.42) TDP2NSD2HK1PAX8S100A4
SCHEMBL7819127 0.75 TDP2 (0.64) TDP2NSD2HK1PAX8S100A4

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