SCHEMBL29450901

SCHEMBL29450901

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.39
▸ LDHA P00338 2/20 0.37
▸ HPGD P15428 6/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HCRTR1 O43613 3/20 0.35
▸ HCRTR2 O43614 3/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 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
SCHEMBL29450874 0.93 TP53 (0.37) KDM4ALDHAHPGDALDH1A1LMNA
SCHEMBL29450907 0.91 LTB4R2 (0.40) LDHAHPGDALDH1A1HCRTR1HCRTR2
SCHEMBL29451036 0.89 LDHA (0.38) KDM4ALDHAHPGDALDH1A1MAPK14
SCHEMBL29450892 0.87 LDHA (0.34) LDHAMAPK14ABCB1ABCG2BRD4
SCHEMBL29450982 0.87 LDHA (0.44) LDHAMAPK14ABCB1ABCG2
SCHEMBL29450870 0.86 P2RY14 (0.39) KDM4ALDHAHPGDTDP1ALDH1A1
SCHEMBL29450996 0.84 TRPC1 (0.42) LDHATDP1ALDH1A1RECQLMAPK14
SCHEMBL29450916 0.84 BRD4 (0.50) LDHAABCB1ABCG2BRD4
SCHEMBL29450908 0.84 LDHA (0.41) LDHAHPGDALDH1A1MAPK14ABCB1
SCHEMBL29450967 0.84 BRD4 (0.43) LDHAMAPK14ABCB1ABCG2BRD4

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