SCHEMBL29451034

SCHEMBL29451034

Cc1cc(C)c(-c2cn(-c3cccc(C(=O)O)c3O)nn2)nc1-c1cn(-c2cccc(C(=O)O)c2O)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MIF P14174 2/20 0.45
▸ MAPK14 Q16539 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LDHA P00338 2/20 0.41
▸ FLT3 P36888 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ GRM1 Q13255 1/20 0.38
▸ ABCB1 P08183 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ KDM6B O15054 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35

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 0.86 LDHA (0.41) ALDH1A1KDM4EHPGDHSD17B10MIF
SCHEMBL29450905 0.83 LDHA (0.42) ALDH1A1KDM4EHPGDHSD17B10MIF
SCHEMBL29450970 0.82 LDHA (0.52) MAPK14LDHAABCB1ABCG2BCHE
SCHEMBL29450866 0.82 LDHA (0.43) ALDH1A1KDM4EHPGDHSD17B10MIF
SCHEMBL29450933 0.82 LDHA (0.51) MIFMAPK14LDHAABCB1ABCG2
SCHEMBL29450947 0.81 LDHA (0.44) MIFMAPK14LDHAABCB1ABCG2
SCHEMBL29450982 0.81 LDHA (0.44) MIFMAPK14LDHAABCB1ABCG2
SCHEMBL29450991 0.81 LDHA (0.46) MIFMAPK14LDHAABCB1ABCG2
SCHEMBL29451023 0.80 MAPK14 (0.41) ALDH1A1KDM4EHPGDHSD17B10MIF
SCHEMBL29450909 0.79 LDHA (0.46) MIFMAPK14LDHAFLT3GSK3B

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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