SCHEMBL3704527

SCHEMBL3704527

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)CC1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NADK O95544 2/20 0.57
ADORA2A P29274 6/20 0.51
ADORA1 P30542 5/20 0.51
ADORA3 P0DMS8 5/20 0.51
ADORA2B P29275 4/20 0.51
HSPA5 P11021 2/20 0.50
HSPA8 P11142 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
RAPGEF3 O95398 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3701954 1.00 NADK (0.57) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL8623943 0.88 NADK (0.53) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL8623937 0.88 NADK (0.53) NADKADORA2AADORA1ADORA3ADORA2B
SCHEMBL14034324 0.87 AMD1 (0.55) ADORA2AADORA3HSPA5HSPA8RXFP1
SCHEMBL19680323 0.86 AHCY (0.55) ADORA2AADORA3HSPA5HSPA8PDE4A
SCHEMBL29328694 0.84 HSPA8 (0.48) ADORA2AADORA3HSPA5HSPA8LMNA
SCHEMBL2582785 0.83 HSPA5 (0.47) ADORA2AADORA3HSPA5HSPA8LMNA
SCHEMBL28542518 0.80 ALDH1A1 (0.45) NADKTSHRLMNAMAPTPMP22
SCHEMBL20419168 0.80 CDK2 (0.49) HSPA8HIF1A
SCHEMBL20419165 0.80 RAPGEF3 (0.49) NADKADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642086-B2 Labeled probe bound object, method for producing the same and method for using the same CANON KABUSHIKI KAISHA (JP) 2010-01-05 US disclosed
US-20070092897-A1 Labeled probe bound object, method for producing the same and method for using the same CANON KABUSHIKI KAISHA (JP) 2007-04-26 US disclosed
EP-1519189-A1 METHOD OF ANALYZING PROBE SUPPORT BY USING FLYING TIME SECONDARY ION MASS SPECTROMETRY CANON KABUSHIKI KAISHA (JP) 2005-03-30 EP disclosed
US-20040137491-A1 Method of analyzing probe carrier using time-of-flight secondary ion mass spectrometry CANON KABUSHIKI KAISHA (JP) 2004-07-15 US disclosed