SCHEMBL6135715

SCHEMBL6135715

Nc1c(I)n[nH]c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UMPS P11172 1/20 0.45
PYGL P06737 5/20 0.41
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
STAT6 P42226 1/20 0.39
HIF1A Q16665 1/20 0.39
ADK P55263 2/20 0.38
DOT1L Q8TEK3 1/20 0.38
PNP P00491 1/20 0.38
DCLK1 O15075 1/20 0.38
DAPK3 O43293 1/20 0.38

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
SCHEMBL9053021 0.76 UMPS (0.48) UMPSPYGLPNP
SCHEMBL638909 0.72 UMPS (0.39) UMPSPYGLKDM4EGMNNLMNA
Formycin SCHEMBL4196088 0.71 HIF1A (0.55) SMN1; SMN2STAT6HIF1ADOT1LPNP
Formycin SCHEMBL10149284 0.71 HIF1A (0.55) SMN1; SMN2STAT6HIF1ADOT1LPNP
SCHEMBL29286002 0.71 UMPS (0.42) UMPSPYGLLMNAPNP
SCHEMBL8333535 0.71 ADK (0.36) UMPSPYGLADKPNP
Pyrazofurin SCHEMBL21379808 0.70 UMPS (0.61) UMPSPYGLKDM4ELMNAMAPT
SCHEMBL22235673 0.70 UMPS (0.54) UMPSPYGLKDM4ELMNAMAPT
SCHEMBL5795431 0.70 UMPS (0.54) UMPSPYGLKDM4ELMNAMAPT
Pyrazofurin SCHEMBL28176565 0.70 UMPS (0.60) UMPSPYGLKDM4ELMNAMAPT

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-1575973-A2 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2005-09-21 EP disclosed
WO-2004058791-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2004-07-15 WO disclosed