SCHEMBL29450982

SCHEMBL29450982

O=C(O)c1cc(-c2cn(-c3cccc(C(=O)O)c3O)nn2)nc(-c2cn(-c3cccc(C(=O)O)c3O)nn2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 3/20 0.44
▸ ABCB1 P08183 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ MIF P14174 5/20 0.39
▸ P2RY14 Q15391 1/20 0.38
▸ STIM1 Q13586 3/20 0.38
▸ ORAI1 Q96D31 3/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL29450967 0.92 BRD4 (0.43) LDHAABCB1ABCG2MAPK14MIF
SCHEMBL29450908 0.90 LDHA (0.41) LDHAABCB1ABCG2MAPK14MIF
SCHEMBL29450905 0.90 LDHA (0.42) LDHAABCB1ABCG2MAPK14MIF
SCHEMBL29451036 0.89 LDHA (0.38) LDHAABCB1ABCG2MAPK14MIF
SCHEMBL29450857 0.89 ABCG2 (0.40) LDHAABCB1ABCG2MAPK14MIF
SCHEMBL29450968 0.89 ESRRA (0.39) LDHAABCB1ABCG2MIFSTIM1
SCHEMBL29451015 0.87 ABCG2 (0.39) LDHAABCB1ABCG2MAPK14P2RY14
SCHEMBL29451023 0.86 MAPK14 (0.41) LDHAABCB1ABCG2MAPK14MIF
SCHEMBL22846421 0.86 GRM5 (0.39) LDHAABCB1ABCG2MAPK14MIF
SCHEMBL29450966 0.86 GRM5 (0.39) LDHAABCB1ABCG2MAPK14MIF

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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