SCHEMBL29451036

SCHEMBL29451036

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.38
▸ MAPK14 Q16539 2/20 0.36
▸ KEAP1 Q14145 4/20 0.36
▸ NFE2L2 Q16236 4/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ MIF P14174 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ KDM3A Q9Y4C1 1/20 0.34
▸ STIM1 Q13586 2/20 0.34
▸ ORAI1 Q96D31 2/20 0.34
▸ KDM4A O75164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29450901 0.89 KDM4A (0.39) LDHAMAPK14ABCB1ABCG2KDM4A
SCHEMBL29450982 0.89 LDHA (0.44) LDHAMAPK14KEAP1NFE2L2ABCB1
SCHEMBL29450874 0.87 TP53 (0.37) LDHAMAPK14ABCB1ABCG2KDM4E
SCHEMBL29450908 0.86 LDHA (0.41) LDHAMAPK14ABCB1ABCG2MIF
SCHEMBL29450967 0.85 BRD4 (0.43) LDHAMAPK14KEAP1NFE2L2ABCB1
SCHEMBL29450907 0.85 LTB4R2 (0.40) LDHAKDM4EKDM5CALDH1A1HPGD
SCHEMBL29450892 0.85 LDHA (0.34) LDHAMAPK14ABCB1ABCG2MIF
SCHEMBL29450968 0.85 ESRRA (0.39) LDHAABCB1ABCG2MIFSTIM1
SCHEMBL29450857 0.85 ABCG2 (0.40) LDHAMAPK14ABCB1ABCG2MIF
SCHEMBL29450905 0.84 LDHA (0.42) LDHAMAPK14ABCB1ABCG2MIF

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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