SCHEMBL31457044

SCHEMBL31457044

O=C(O)c1ncnc2nc([C@H]3CCCN3C(=O)OCc3ccccc3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 2/20 0.44
▸ GRIN2B Q13224 3/20 0.43
▸ PREP P48147 3/20 0.41
▸ TMEM97 Q5BJF2 3/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL31456986 1.00 AADAT (0.44) AADATGRIN2BPREPTMEM97SIGMAR1
SCHEMBL30751267 0.91 AADAT (0.43) AADATGRIN2BPREPTMEM97SIGMAR1
SCHEMBL30751285 0.91 AADAT (0.43) AADATGRIN2BPREPTMEM97SIGMAR1
SCHEMBL30751297 0.90 AADAT (0.44) AADATGRIN2BPREPTMEM97SIGMAR1
SCHEMBL30751401 0.90 AADAT (0.44) AADATGRIN2BPREPTMEM97SIGMAR1
SCHEMBL30751369 0.86 AADAT (0.42) AADATGRIN2BPREPTMEM97SIGMAR1
SCHEMBL30751365 0.86 AADAT (0.42) AADATGRIN2BPREPTMEM97SIGMAR1
SCHEMBL31457053 0.84 GRIN2B (0.41) AADATGRIN2BTMEM97SIGMAR1LMNA
SCHEMBL30751273 0.84 GRIN2B (0.41) AADATGRIN2BTMEM97SIGMAR1LMNA
SCHEMBL31456975 0.83 GRIN2B (0.50) GRIN2B

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
EP-4567035-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2025-06-11 — — EP disclosed
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
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