SCHEMBL30003014

SCHEMBL30003014

NC1=C(Cl)C(=O)c2cc(Cl)c(Cl)cc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.56
TDP2 O95551 1/20 0.56
HK1 P19367 1/20 0.56
PAX8 Q06710 1/20 0.56
S100A4 P26447 2/20 0.44
CES1 P23141 1/20 0.39
AHR P35869 3/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 1/20 0.37
DNMT1 P26358 1/20 0.37
DNMT3L Q9UJW3 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
CDC25B P30305 1/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 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
SCHEMBL23271807 1.00 NSD2 (0.56) NSD2TDP2HK1PAX8S100A4
SCHEMBL30003154 0.82 TDP2 (0.53) NSD2TDP2HK1PAX8S100A4
SCHEMBL23271912 0.82 TDP2 (0.53) NSD2TDP2HK1PAX8S100A4
SCHEMBL23271824 0.82 IDO1 (0.52) NSD2TDP2HK1PAX8S100A4
SCHEMBL30003088 0.82 IDO1 (0.52) NSD2TDP2HK1PAX8S100A4
SCHEMBL7819127 0.79 TDP2 (0.64) NSD2TDP2HK1PAX8S100A4
SCHEMBL30003548 0.79 TDP2 (0.64) NSD2TDP2HK1PAX8S100A4
SCHEMBL7818893 0.79 TDP2 (0.64) NSD2TDP2HK1PAX8S100A4
SCHEMBL29440919 0.76 IDO1 (0.68) NSD2TDP2HK1PAX8S100A4
SCHEMBL119489 0.76 IDO1 (0.68) NSD2TDP2HK1PAX8S100A4

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