SCHEMBL8486289

SCHEMBL8486289

O=c1[nH]c2[nH]cnc2c2nncn12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL8483161 0.70 ADORA2A (0.32) HPGDHSD17B10
SCHEMBL21617404 0.69 POLB (0.47) KDM4EHPGDTSHRHSD17B10POLB
1-Methylxanthine SCHEMBL12037451 0.66 ADORA2A (0.54) KDM4EHPGDTSHR
SCHEMBL8481263 0.65 HRH4 (0.33) KDM4EHPGDHSD17B10POLBGRIN2D
SCHEMBL8481258 0.65 ADORA2A (0.39)
SCHEMBL8485656 0.64 ADORA2B (0.34)
SCHEMBL8485775 0.63 NPC1 (0.43) KDM4EHPGDHSD17B10POLB
SCHEMBL9240979 0.62 ADORA2A (0.58) HPGDHSD17B10
SCHEMBL13663975 0.60 LMNA (0.33) KDM4EHPGDPOLB
SCHEMBL16852360 0.59 JAK1 (0.44) KDM4EHPGDTSHRHSD17B10POLB

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-5990118-A NOVEL PURINE COMPOUNDS AND TRIAZOLOPURINE COMPOUNDS WHICH INHIBIT XANTHINE OXIDASE; REMEDIES FOR HYPERURICEMIA, AND AS PREVENTIVE AND THERAPEUTIC AGENTS FOR GOUT YAMASA CORPORATION (JP) 1999-11-23 US disclosed
EP-0811624-A1 PURINE COMPOUNDS AND XANTHINE OXIDASE INHIBITORS YAMASA CORPORATION (JP) 1997-12-10 EP disclosed