SCHEMBL29450866

SCHEMBL29450866

O=C(O)c1cccc(-n2cc(-c3ccc(-c4cn(-c5cccc(C(=O)O)c5O)nn4)nn3)nn2)c1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.43
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALB P02768 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ HNF4A P41235 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ MIF P14174 2/20 0.35

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 0.90 LDHA (0.42) LDHAABCB1ABCG2MAPK14BCHE
SCHEMBL29450933 0.89 LDHA (0.51) LDHAABCB1ABCG2MAPK14BCHE
SCHEMBL29450882 0.88 MIF (0.45) LDHAABCB1ABCG2MAPK14ALDH1A1
SCHEMBL29451023 0.87 MAPK14 (0.41) LDHAABCB1ABCG2MAPK14BCHE
SCHEMBL29450970 0.86 LDHA (0.52) LDHAABCB1ABCG2MAPK14BCHE
SCHEMBL29450982 0.85 LDHA (0.44) LDHAABCB1ABCG2MAPK14MIF
SCHEMBL29450908 0.85 LDHA (0.41) LDHAABCB1ABCG2MAPK14BCHE
SCHEMBL29450909 0.83 LDHA (0.46) LDHAABCB1ABCG2MAPK14BCHE
SCHEMBL29450947 0.83 LDHA (0.44) LDHAABCB1ABCG2MAPK14BCHE
SCHEMBL29451034 0.82 ALDH1A1 (0.47) LDHAABCB1ABCG2MAPK14BCHE

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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