SCHEMBL30003616

SCHEMBL30003616

NC1=CC(=O)c2c(Cl)cccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.46
NSD2 O96028 4/20 0.46
PTPN1 P18031 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
ADORA2A P29274 2/20 0.44
TGM2 P21980 1/20 0.42
PADI1 Q9ULC6 1/20 0.42
PADI3 Q9ULW8 1/20 0.42
PADI4 Q9UM07 1/20 0.42
PADI2 Q9Y2J8 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
MPI P34949 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
SCHEMBL23271713 1.00 S100A4 (0.46) S100A4NSD2PTPN1HKDC1ADORA2A
SCHEMBL28371089 0.81 ADORA2A (0.57) S100A4NSD2PTPN1HKDC1ADORA2A
SCHEMBL30594726 0.81 ADORA2A (0.57) S100A4NSD2PTPN1HKDC1ADORA2A
SCHEMBL30003334 0.81 AURKA (0.53) NSD2ADORA2AMAPTMEN1ALDH1A1
SCHEMBL9627478 0.81 AURKA (0.53) NSD2ADORA2AMAPTMEN1ALDH1A1
SCHEMBL30002641 0.79 ALDH1A1 (0.47) S100A4NSD2PTPN1HKDC1ADORA2A
SCHEMBL23271937 0.79 ALDH1A1 (0.47) S100A4NSD2PTPN1HKDC1ADORA2A
SCHEMBL16879125 0.78 MAPT (0.64) S100A4NSD2PTPN1HKDC1MAPT
SCHEMBL23271685 0.78 MAPT (0.64) NSD2ADORA2AMAPTMEN1ALDH1A1
SCHEMBL18992139 0.78 MAPT (0.53) NSD2MAPTMEN1ALDH1A1KMT2A

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