SCHEMBL29450874

SCHEMBL29450874

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.37
▸ LDHA P00338 2/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ BACE1 P56817 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
SCHEMBL29450907 0.94 LTB4R2 (0.40) LDHAHCRTR1HCRTR2HPGDKDM4E
SCHEMBL29450901 0.93 KDM4A (0.39) LDHAMAPK14HCRTR1HCRTR2HPGD
SCHEMBL29451036 0.87 LDHA (0.38) LDHAMAPK14HPGDKDM4AKDM4E
SCHEMBL29450892 0.85 LDHA (0.34) LDHAMAPK14KDM4EKDM5CABCB1
SCHEMBL29450982 0.84 LDHA (0.44) LDHAMAPK14ABCB1ABCG2
SCHEMBL29450883 0.82 NME4 (0.42) HPGDKDM4EALDH1A1POLBGAA
SCHEMBL29450996 0.82 TRPC1 (0.42) LDHAMAPK14KDM4EALDH1A1POLB
SCHEMBL29450916 0.82 BRD4 (0.50) LDHAABCB1ABCG2
SCHEMBL29450908 0.82 LDHA (0.41) LDHAMAPK14HPGDKMT2AKDM4E
SCHEMBL22846286 0.81 NME4 (0.41) LDHAHPGDKDM4AKDM4EALDH1A1

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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