SCHEMBL29450882

SCHEMBL29450882

O=C(O)c1cccc(-n2cc(-c3ccc4ccc5ccc(-c6cn(-c7cccc(C(=O)O)c7O)nn6)nc5c4n3)nn2)c1O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 13/20 0.45
▸ LDHA P00338 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ABCB1 P08183 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ PARP1 P09874 1/20 0.36

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) MIFLDHAMAPK14ALDH1A1ABCB1
SCHEMBL29450866 0.88 LDHA (0.43) MIFLDHAMAPK14ALDH1A1ABCB1
SCHEMBL29451023 0.84 MAPK14 (0.41) MIFLDHAMAPK14ALDH1A1ABCB1
SCHEMBL29450933 0.83 LDHA (0.51) MIFLDHAMAPK14ABCB1ABCG2
SCHEMBL29450908 0.82 LDHA (0.41) MIFLDHAMAPK14ALDH1A1ABCB1
SCHEMBL29450982 0.82 LDHA (0.44) MIFLDHAMAPK14ABCB1ABCG2
SCHEMBL29450991 0.81 LDHA (0.46) MIFLDHAMAPK14ABCB1ABCG2
SCHEMBL29450970 0.81 LDHA (0.52) LDHAMAPK14ABCB1ABCG2
SCHEMBL29450947 0.80 LDHA (0.44) MIFLDHAMAPK14ABCB1ABCG2
SCHEMBL22846421 0.79 GRM5 (0.39) MIFLDHAMAPK14ABCB1ABCG2

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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