SCHEMBL30003056

SCHEMBL30003056

Cc1cc2c(cc1C)C(=O)C(N)=CC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 2/20 0.39
PADI3 Q9ULW8 2/20 0.39
PADI4 Q9UM07 2/20 0.39
PADI2 Q9Y2J8 2/20 0.39
TGM2 P21980 1/20 0.39
S100A4 P26447 1/20 0.39
NSD2 O96028 2/20 0.38
PTPN1 P18031 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
NQO1 P15559 3/20 0.37
POR P16435 3/20 0.37
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
MPI P34949 1/20 0.34

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
SCHEMBL23271866 1.00 PADI1 (0.39) PADI1PADI3PADI4PADI2TGM2
SCHEMBL30002698 0.78 S100A4 (0.39) PADI1PADI3PADI4PADI2TGM2
SCHEMBL23271966 0.78 S100A4 (0.39) PADI1PADI3PADI4PADI2TGM2
SCHEMBL23271718 0.78 MAOA (0.53) PADI1PADI3PADI4PADI2TGM2
SCHEMBL9627487 0.77 MAPT (0.56) NQO1PORALDH1A1MEN1USP2
SCHEMBL30002691 0.77 MAPT (0.56) NQO1PORALDH1A1MEN1USP2
SCHEMBL23271980 0.75 NQO1 (0.41) S100A4NSD2PTPN1NQO1POR
SCHEMBL31744557 0.75 GAPDH (0.49) PADI1PADI3PADI4PADI2TGM2
SCHEMBL30003047 0.75 NQO1 (0.41) S100A4NSD2PTPN1NQO1POR
SCHEMBL8993580 0.74 XIAP (0.39) NQO1PORALDH1A1MEN1USP2

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