SCHEMBL8362057

SCHEMBL8362057

CN(C=O)C(OCc1ccccc1I)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.50
▸ AHCY P23526 11/20 0.49
▸ DOT1L Q8TEK3 1/20 0.48
▸ HIF1A Q16665 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ ADORA1 P30542 2/20 0.46

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
SCHEMBL3486341 0.89 AHCY (0.60) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL2780483 0.86 AHCY (0.49) ADORA3AHCYDOT1LADORA1
SCHEMBL940909 0.86 ADORA3 (0.49) ADORA3AHCYDOT1LHIF1ATMEM97
SCHEMBL536759 0.85 AHCY (0.52) ADORA3AHCYDOT1LHIF1ATMEM97
SCHEMBL3292851 0.83 AHCY (0.52) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL6692383 0.79 AHCY (0.54) ADORA3AHCYDOT1LHIF1ATMEM97
SCHEMBL1972796 0.79 AHCY (0.63) ADORA3AHCYDOT1LHIF1ATMEM97
SCHEMBL19066616 0.77 AHCY (0.58) ADORA3AHCYHIF1ATMEM97SIGMAR1
SCHEMBL6698657 0.74 AHCY (0.55) ADORA3AHCYHIF1ATMEM97SIGMAR1
SCHEMBL177772 0.73 AHCY (0.61) ADORA3AHCYDOT1LHIF1ATMEM97

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
WO-1999042093-A2 ANTAGONISTS OF A2B HUMAN ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA (US) 1999-08-26 — — WO disclosed
Send feedback