SCHEMBL29450896

SCHEMBL29450896

O=C(O)c1ccccc1-n1cc(-c2cccc(-c3cn(-c4ccccc4C(=O)O)nn3)n2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.50
▸ LDHA P00338 2/20 0.46
▸ FLT3 P36888 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NR4A1 P22736 2/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MYC P01106 3/20 0.41
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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 0.89 LDHA (0.42) MAPK14LDHAFLT3GSK3BABCB1
SCHEMBL29451047 0.84 LDHA (0.57) MAPK14LDHAABCB1ABCG2BCHE
SCHEMBL29450999 0.84 NOTUM (0.42) MAPK14LDHAFLT3GSK3BABCB1
SCHEMBL29451023 0.80 MAPK14 (0.41) MAPK14LDHAFLT3GSK3BABCB1
SCHEMBL29450990 0.79 PARP1 (0.40) MAPK14LDHAFLT3GSK3BABCB1
SCHEMBL29450908 0.79 LDHA (0.41) MAPK14LDHAFLT3GSK3BABCB1
SCHEMBL29450982 0.79 LDHA (0.44) MAPK14LDHAABCB1ABCG2MIF
SCHEMBL29450882 0.79 MIF (0.45) MAPK14LDHAABCB1ABCG2ALDH1A1
SCHEMBL29450866 0.78 LDHA (0.43) MAPK14LDHAFLT3GSK3BABCB1
SCHEMBL29450900 0.77 ABCG2 (0.40) MAPK14LDHAFLT3GSK3BABCB1

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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