SCHEMBL31457053

SCHEMBL31457053

O=C(NCc1cccc(F)c1)c1ncnc2nc([C@H]3CCCN3C(=O)OCc3ccccc3)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.41
▸ CALCA P06881 2/20 0.40
▸ PRCP P42785 2/20 0.39
▸ AADAT Q8N5Z0 1/20 0.39
▸ TMEM97 Q5BJF2 3/20 0.38
▸ SIGMAR1 Q99720 3/20 0.38
▸ CPT1A P50416 2/20 0.38
▸ CPT2 P23786 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30751273 1.00 GRIN2B (0.41) GRIN2BCALCAPRCPAADATTMEM97
SCHEMBL30751262 0.87 MET (0.40) GRIN2BPRCPAADATCPT1ACPT2
SCHEMBL31457006 0.87 MET (0.40) GRIN2BPRCPAADATCPT1ACPT2
SCHEMBL31457054 0.87 MET (0.40) GRIN2BPRCPAADATCPT1ACPT2
SCHEMBL30751331 0.87 MET (0.40) GRIN2BPRCPAADATCPT1ACPT2
SCHEMBL27376324 0.85 CALCA (0.42) CALCAAADATALDH1A1LMNAHPGD
SCHEMBL31456925 0.85 CALCA (0.42) CALCAAADATALDH1A1LMNAHPGD
SCHEMBL31457044 0.84 AADAT (0.44) GRIN2BAADATTMEM97SIGMAR1LMNA
SCHEMBL31456986 0.84 AADAT (0.44) GRIN2BAADATTMEM97SIGMAR1LMNA
SCHEMBL27376309 0.84 CALCA (0.40) GRIN2BCALCAPRCPCPT1ACPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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