SCHEMBL30002679

SCHEMBL30002679

CCCCCc1ccc2c(c1)C(=O)C(Cl)=C(N)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.49
NSD2 O96028 1/20 0.49
HK1 P19367 1/20 0.49
PAX8 Q06710 1/20 0.49
CA2 P00918 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR3 P46089 1/20 0.40
SKP2 Q13309 1/20 0.40
HTR2A P28223 1/20 0.39
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL23271915 1.00 TDP2 (0.49) TDP2NSD2HK1PAX8CA2
SCHEMBL23271771 0.96 TDP2 (0.50) TDP2NSD2HK1PAX8CA2
SCHEMBL28379547 0.90 ALDH1A1 (0.46) CA2SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL30003171 0.90 ALDH1A1 (0.46) CA2SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL23271755 0.85 SMN1; SMN2 (0.47) CA2SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL23271988 0.79 MAOA (0.48) CA2SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL30003506 0.79 MAOA (0.48) CA2SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL29531152 0.79 NPC1 (0.66) CA2SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL37031 0.79 NPC1 (0.66) CA2SMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL28295158 0.78 GPR3 (0.51) SMN1; SMN2NPC1ALDH1A1LMNAMAPT

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