SCHEMBL3048652

SCHEMBL3048652

CC(ONC=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.61
ADORA3 P0DMS8 3/20 0.58
ADORA2B P29275 3/20 0.58
HIF1A Q16665 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90B1 P14625 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL7716889 0.89 AHCY (0.59) AHCYADORA3ADORA2BHIF1ATMEM97
SCHEMBL226039 0.84 AHCY (0.63) AHCYADORA3ADORA2BHIF1ATMEM97
SCHEMBL5320373 0.82 P2RY2 (0.63) AHCYADORA3ADORA2BADORA1
SCHEMBL5327602 0.82 AHCY (0.65) AHCYADORA3ADORA2BHIF1ATMEM97
SCHEMBL787408 0.81 AHCY (0.59) AHCYADORA3ADORA2BADORA1
SCHEMBL6826848 0.81 HSP90AA1 (0.62) AHCYADORA3ADORA2BTSHRLMNA
SCHEMBL22326785 0.81 PRMT5 (0.64) AHCYADORA3ADORA2BHIF1ATMEM97
SCHEMBL21413837 0.81 PRMT5 (0.64) AHCYADORA3ADORA2BHIF1ATMEM97
SCHEMBL22326787 0.81 PRMT5 (0.64) AHCYADORA3ADORA2BHIF1ATMEM97
SCHEMBL16300875 0.81 PRMT5 (0.64) AHCYADORA3ADORA2BHIF1ATMEM97

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-2010129294-A2 SMALL MOLECULES SUPPORTING PLURIPOTENT CELL GROWTH AND METHODS THEREOF SCHULZ THOMAS C (US) 2010-11-11 WO claimed