SCHEMBL29450873

SCHEMBL29450873

O=C(O)c1cccc(-n2cc(-c3cc(C(F)(F)F)cc(-c4cn(-c5cccc(C(=O)O)c5O)nn4)n3)nn2)c1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 10/20 0.43
▸ AURKA O14965 4/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ MAPK14 Q16539 2/20 0.39
▸ LDHA P00338 2/20 0.39
▸ ESRRA P11474 1/20 0.38
▸ OPRD1 P41143 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37

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 0.86 LDHA (0.44) P2RY14MAPK14LDHAABCG2
SCHEMBL29450908 0.86 LDHA (0.41) MAPK14LDHAESRRAABCG2
SCHEMBL29450905 0.85 LDHA (0.42) MAPK14LDHAABCG2
SCHEMBL29450967 0.83 BRD4 (0.43) P2RY14MAPK14LDHAOPRD1KCNH2
SCHEMBL29451023 0.82 MAPK14 (0.41) MAPK14LDHAABCG2
SCHEMBL29450956 0.82 STIM1 (0.46) AURKAAURKBLDHAABCG2
SCHEMBL29450966 0.82 GRM5 (0.39) AURKAMAPK14LDHAABCG2
SCHEMBL22846421 0.82 GRM5 (0.39) AURKAMAPK14LDHAABCG2
SCHEMBL29450866 0.81 LDHA (0.43) MAPK14LDHAABCG2
SCHEMBL29450888 0.81 KEAP1 (0.46) LDHA

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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