SCHEMBL29877256

SCHEMBL29877256

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.61
HIF1A Q16665 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
TSHR P16473 4/20 0.56
HSP90B1 P14625 3/20 0.56
KMT2A Q03164 2/20 0.56
HSP90AA1 P07900 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
ADORA2A P29274 2/20 0.56
ADORA2B P29275 2/20 0.56
ADORA1 P30542 2/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
BLM P54132 1/20 0.56
MAPK1 P28482 2/20 0.56
CYP2C19 P33261 1/20 0.56
DOT1L Q8TEK3 1/20 0.56
TMIGD3 P0DMS9 1/20 0.56
RXFP1 Q9HBX9 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
SCHEMBL28901883 1.00 AHCY (0.61) AHCYHIF1ATMEM97SIGMAR1TSHR
SCHEMBL177772 1.00 AHCY (0.61) AHCYHIF1ATMEM97SIGMAR1TSHR
SCHEMBL7744261 0.89 AHCY (0.46) AHCYADORA2AADORA2B
SCHEMBL1972796 0.88 AHCY (0.63) AHCYHIF1ATMEM97SIGMAR1TSHR
SCHEMBL19066616 0.88 AHCY (0.58) AHCYHIF1ATMEM97SIGMAR1TSHR
SCHEMBL258935 0.86 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6636036 0.86 ADORA2A (0.52) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6698657 0.85 AHCY (0.55) AHCYHIF1ATMEM97SIGMAR1TSHR
SCHEMBL6402599 0.84 AHCY (0.62) AHCYHIF1ATMEM97SIGMAR1TSHR
SCHEMBL1068915 0.83 AHCY (0.60) AHCYHIF1ATMEM97SIGMAR1TSHR

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
CN-114929250-A Engineered cells for therapy 爱迪塔斯医药公司 2022-08-19 CN disclosed