SCHEMBL10568643

SCHEMBL10568643

O=C(O)CCCNc1c(C(=O)O)cnc2cn[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ NR4A2 P43354 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ASPH Q12797 2/20 0.33
▸ KDM8 Q8N371 2/20 0.33
▸ CYP4F2 P78329 3/20 0.33
▸ CYP4A11 Q02928 3/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ P2RY2 P41231 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL10565713 0.87 KDM6B (0.44) GAAKDM4EALDH1A1
SCHEMBL13544631 0.70 KDM6B (0.33) ASPHKDM8HPGDKDM4EALDH1A1
SCHEMBL10563817 0.66 CYP3A4 (0.38) ALDH1A1
SCHEMBL23629251 0.64 KDM5A (0.50) —
SCHEMBL5848939 0.60 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10570578 0.59 CYP1A2 (0.44) ALDH1A1
SCHEMBL5515007 0.59 ALDH1A1 (0.81) GAAHPGDATMKDM4EALDH1A1
SCHEMBL6763742 0.58 TBXAS1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10567882 0.58 PTK2 (0.34) LMNAHPGDKDM4EALDH1A1
SCHEMBL3131322 0.58 KDM4E (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-4818754-A ANTIALLERGENS BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1989-04-04 — — US disclosed
EP-0243055-A2 Pyrazolopyridine derivatives, process for their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-10-28 — — EP disclosed
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