SCHEMBL7788095

SCHEMBL7788095

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.46
HIF1A Q16665 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
HSP90B1 P14625 3/20 0.43
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA3 P0DMS8 5/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ADORA1 P30542 1/20 0.43
GMPS P49915 1/20 0.42

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
SCHEMBL11134092 0.77 PDE4A (0.45) AHCYHIF1ATMEM97SIGMAR1PI4KA
SCHEMBL18680910 0.77 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL13061814 0.77 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL13010067 0.77 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL29375670 0.77 PI4KA (0.47) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL16258664 0.77 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL3794703 0.77 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL41360 0.77 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL18537398 0.77 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL20143496 0.77 PI4KA (0.55) AHCYPI4KAPI4K2BPI4K2API4KB

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
EP-1158995-A1 BIOLOGICALLY ACTIVE COMPOUNDS OF GANODERMA PFEIFFERI DMS 13239 Ganomycin Gesellschaft für Biomedizinische Forschung mbH (DE) 2001-12-05 EP disclosed
WO-2000053207-A1 BIOLOGICALLY ACTIVE COMPOUNDS OF $I(GANODERMA PFEIFFERI) DMS 13239 GANOMYCIN GESELLSCHAFT FÜR BIOMEDIZINISCHE FORSCHUNG MBH ; (DE) 2000-09-14 WO disclosed