SCHEMBL30864233

SCHEMBL30864233

O=C(O)Nc1nc(=O)[nH]cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ KDM3B Q7LBC6 1/20 0.37
▸ CSNK2A1 P68400 5/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ NOTUM Q6P988 1/20 0.34
▸ CSNK2A2 P19784 4/20 0.34
▸ CSNK2B P67870 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ TET2 Q6N021 1/20 0.33
▸ TET1 Q8NFU7 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NAPRT Q6XQN6 1/20 0.32
▸ LCK P06239 1/20 0.31

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
SCHEMBL31429917 0.80 NOTUM (0.37) KDM4ENOTUMALDH1A1ADORA2AADORA1
SCHEMBL31618956 0.76 ADORA2A (0.35) ALDH1A1ADORA2AADORA1KMT2ACYP1A2
SCHEMBL10401861 0.72 KDM4E (0.40) KDM4EKDM3BCSNK2A1PIM3CLK4
SCHEMBL10401860 0.72 KDM3B (0.44) KDM4EKDM3BCSNK2A1PIM3CLK4
SCHEMBL4359910 0.72 KDM4E (0.40) KDM4EKDM3BCSNK2A1PIM3CLK4
SCHEMBL28175983 0.71 GABRP (0.49) KDM4EKDM3BCSNK2A1PIM3CLK4
SCHEMBL29413583 0.68 MAP2K1 (0.54) —
SCHEMBL5694241 0.68 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL8885922 0.66 GDA (0.34) KDM4EALDH1A1ADORA2A
SCHEMBL1225985 0.66 GDA (0.36) ALDH1A1DYRK1AADORA2ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118846142-A PNA probe and synthesis method thereof, radiopharmaceuticals and application thereof in radioimmunotherapy 中国工程物理研究院核物理与化学研究所 2024-10-29 — — CN claimed
CN-118846142-A PNA probe and synthesis method thereof, radiopharmaceuticals and application thereof in radioimmunotherapy 中国工程物理研究院核物理与化学研究所 2024-10-29 — — CN disclosed
CN-117778530-A Method for adding preset joint to 5' end of single-stranded DNA 清华大学 2024-03-29 — — CN disclosed
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