SCHEMBL29450968

SCHEMBL29450968

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 1/20 0.39
▸ AURKA O14965 4/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ CD74 P04233 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ STIM1 Q13586 2/20 0.38
▸ ORAI1 Q96D31 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ ABCB1 P08183 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
SCHEMBL29450982 0.89 LDHA (0.44) MIFSTIM1ORAI1ABCG2LDHA
SCHEMBL29450996 0.89 TRPC1 (0.42) ESRRASTIM1ORAI1LDHA
SCHEMBL29450891 0.89 GRM5 (0.38) MIFSTIM1ORAI1ABCG2LDHA
SCHEMBL29450857 0.87 ABCG2 (0.40) MIFABCG2LDHAABCB1
SCHEMBL29450956 0.87 STIM1 (0.46) AURKAAURKBSTIM1ORAI1ABCG2
SCHEMBL29450908 0.86 LDHA (0.41) ESRRAMIFSTIM1ORAI1ABCG2
SCHEMBL29450967 0.85 BRD4 (0.43) MIFSTIM1ORAI1ABCG2LDHA
SCHEMBL29451015 0.85 ABCG2 (0.39) ABCG2LDHAABCB1
SCHEMBL29451036 0.85 LDHA (0.38) MIFSTIM1ORAI1ABCG2LDHA
SCHEMBL29450905 0.84 LDHA (0.42) MIFABCG2LDHAABCB1

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
Send feedback