SCHEMBL30004170

SCHEMBL30004170

CCCCc1cccc2c1C(=O)C=C(N)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.46
CTSG P08311 5/20 0.46
PTPN1 P18031 2/20 0.42
S100A4 P26447 2/20 0.39
P2RX7 Q99572 1/20 0.38
NSD2 O96028 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALDH1A1 P00352 3/20 0.36
APAF1 O14727 1/20 0.36
P4HB P07237 1/20 0.36
SLC37A4 O43826 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TGM2 P21980 1/20 0.36

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
SCHEMBL23271814 1.00 ELANE (0.46) ELANECTSGPTPN1S100A4P2RX7
SCHEMBL23271916 0.96 PTPN1 (0.48) ELANECTSGPTPN1S100A4NSD2
SCHEMBL30004200 0.96 PTPN1 (0.48) ELANECTSGPTPN1S100A4NSD2
SCHEMBL30003294 0.85 ELANE (0.46) ELANECTSGPTPN1S100A4P2RX7
SCHEMBL23271700 0.85 ELANE (0.46) ELANECTSGPTPN1S100A4P2RX7
SCHEMBL23271989 0.84 ALDH1A1 (0.54) ELANECTSGPTPN1S100A4P2RX7
SCHEMBL30004181 0.84 ALDH1A1 (0.54) ELANECTSGPTPN1S100A4P2RX7
SCHEMBL23271674 0.82 ELANE (0.46) ELANECTSGPTPN1S100A4P2RX7
SCHEMBL23271701 0.82 ELANE (0.52) ELANECTSGALDH1A1P4HBKDM4E
SCHEMBL30003594 0.82 ELANE (0.46) ELANECTSGPTPN1S100A4P2RX7

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