SCHEMBL29450956

SCHEMBL29450956

COc1cc(-c2cn(-c3cccc(C(=O)O)c3O)nn2)nc(-c2cn(-c3cccc(C(=O)O)c3O)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.46
▸ ORAI1 Q96D31 5/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ CYP1B1 Q16678 1/20 0.40
▸ CDC25B P30305 1/20 0.39
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ LDHA P00338 1/20 0.39
▸ LMNA P02545 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
SCHEMBL29450908 0.88 LDHA (0.41) STIM1ORAI1ABCG2LDHA
SCHEMBL29450968 0.87 ESRRA (0.39) STIM1ORAI1ABCG2AURKAAURKB
SCHEMBL29450982 0.86 LDHA (0.44) STIM1ORAI1ABCG2LDHA
SCHEMBL29450905 0.85 LDHA (0.42) ABCG2LDHA
SCHEMBL29450967 0.83 BRD4 (0.43) STIM1ORAI1ABCG2LDHA
SCHEMBL29451023 0.82 MAPK14 (0.41) ABCG2LDHA
SCHEMBL29450966 0.82 GRM5 (0.39) ABCG2AURKALDHA
SCHEMBL29450873 0.82 P2RY14 (0.43) ABCG2AURKAAURKBLDHA
SCHEMBL22846421 0.82 GRM5 (0.39) ABCG2AURKALDHA
SCHEMBL29450866 0.81 LDHA (0.43) ABCG2LDHA

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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