SCHEMBL29450990

SCHEMBL29450990

NC(=O)c1cccc(-n2cc(-c3cccc(-c4cn(-c5cccc(C(N)=O)c5O)nn4)n3)nn2)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PARP2 Q9UGN5 3/20 0.37
▸ PARP3 Q9Y6F1 3/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ LDHA P00338 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MIF P14174 4/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ESRRA P11474 1/20 0.34
▸ MAPK14 Q16539 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
SCHEMBL29450905 0.88 LDHA (0.42) FLT3GSK3BABCB1ABCG2LDHA
SCHEMBL29450900 0.84 ABCG2 (0.40) FLT3GSK3BABCB1ABCG2LDHA
SCHEMBL29450967 0.83 BRD4 (0.43) ABCB1ABCG2LDHAMIFMAPK14
SCHEMBL29451023 0.79 MAPK14 (0.41) FLT3GSK3BABCB1ABCG2LDHA
SCHEMBL29450896 0.79 MAPK14 (0.50) FLT3GSK3BABCB1ABCG2LDHA
SCHEMBL29450882 0.78 MIF (0.45) PARP1ABCB1ABCG2LDHAMIF
SCHEMBL29450982 0.78 LDHA (0.44) ABCB1ABCG2LDHAMIFMAPK14
SCHEMBL29450908 0.78 LDHA (0.41) FLT3GSK3BABCB1ABCG2LDHA
SCHEMBL29450866 0.78 LDHA (0.43) FLT3GSK3BABCB1ABCG2LDHA
SCHEMBL21160009 0.76 MAPT (0.47) PARP1MIF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114144520-A Enhanced nucleic acid polymerization by aromatic compounds 斯特拉托斯基因公司 2022-03-04 — — CN claimed
CN-114144520-A Enhanced nucleic acid polymerization by aromatic compounds 斯特拉托斯基因公司 2022-03-04 — — CN disclosed
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