SCHEMBL29450970

SCHEMBL29450970

O=C(O)c1cccc(-n2cc(-c3cccc(-c4cn(-c5cccc(C(=O)O)c5O)nn4)c3)nn2)c1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 3/20 0.52
▸ ABCB1 P08183 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ HSD17B1 P14061 2/20 0.47
▸ HSD17B2 P37059 2/20 0.47
▸ BCHE P06276 1/20 0.47
▸ STIM1 Q13586 6/20 0.45
▸ ORAI1 Q96D31 6/20 0.45
▸ KEAP1 Q14145 3/20 0.45
▸ NFE2L2 Q16236 3/20 0.45
▸ HNF4A P41235 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ UCHL5 Q9Y5K5 1/20 0.40

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
SCHEMBL29450933 0.92 LDHA (0.51) LDHAABCB1ABCG2HSD17B1HSD17B2
SCHEMBL29450909 0.91 LDHA (0.46) LDHAABCB1ABCG2HSD17B1HSD17B2
SCHEMBL29450991 0.90 LDHA (0.46) LDHAABCB1ABCG2HSD17B1HSD17B2
SCHEMBL29451047 0.89 LDHA (0.57) LDHAABCB1ABCG2HSD17B1HSD17B2
SCHEMBL29450866 0.86 LDHA (0.43) LDHAABCB1ABCG2BCHEHNF4A
SCHEMBL29450994 0.86 LDHA (0.45) LDHAABCB1ABCG2HSD17B1HSD17B2
SCHEMBL29450905 0.85 LDHA (0.42) LDHAABCB1ABCG2BCHEHNF4A
SCHEMBL29450908 0.83 LDHA (0.41) LDHAABCB1ABCG2BCHESTIM1
SCHEMBL29450947 0.83 LDHA (0.44) LDHAABCB1ABCG2BCHEHNF4A
SCHEMBL29450982 0.83 LDHA (0.44) LDHAABCB1ABCG2STIM1ORAI1

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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