SCHEMBL30004200

SCHEMBL30004200

CCCCCc1cccc2c1C(=O)C=C(N)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
ELANE P08246 7/20 0.47
CTSG P08311 4/20 0.47
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
NSD2 O96028 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
S100A4 P26447 1/20 0.38
P4HB P07237 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38

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
SCHEMBL23271916 1.00 PTPN1 (0.48) PTPN1ELANECTSGNR1H2NR1H3
SCHEMBL23271814 0.96 ELANE (0.46) PTPN1ELANECTSGNR1H2NR1H3
SCHEMBL30004170 0.96 ELANE (0.46) PTPN1ELANECTSGNR1H2NR1H3
SCHEMBL23271699 0.86 PTPN1 (0.51) PTPN1ELANECTSGNR1H2NR1H3
SCHEMBL30003946 0.84 ALDH1A1 (0.53) PTPN1ELANECTSGNR1H2NR1H3
SCHEMBL23271901 0.84 ALDH1A1 (0.53) PTPN1ELANECTSGNR1H2NR1H3
SCHEMBL30003185 0.83 ELANE (0.53) PTPN1ELANECTSGBIDMCL1
SCHEMBL23271730 0.83 ELANE (0.53) PTPN1ELANECTSGBIDMCL1
SCHEMBL23271756 0.83 ELANE (0.47) PTPN1ELANECTSGNR1H2NR1H3
SCHEMBL30004077 0.83 ELANE (0.47) PTPN1ELANECTSGNR1H2NR1H3

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