SCHEMBL7769647

SCHEMBL7769647

CCOc1cccc(Sc2nc(N)nc3c2ncn3CCOCP)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 1/20 0.40
DHFR P00374 4/20 0.37
ALDH1A1 P00352 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
HK1 P19367 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
NOTUM Q6P988 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL7770913 0.94 SLC29A1 (0.43) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7773508 0.93 SLC29A1 (0.45) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7770867 0.92 DHFR (0.45) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7769186 0.90 CYP1A2 (0.39) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7771332 0.89 HSP90AA1 (0.40) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7771327 0.89 CYP1A2 (0.42) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7126838 0.87 FGFR1 (0.46) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7769665 0.85 CYP1A2 (0.47) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7119963 0.85 SLC29A1 (0.37) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7127136 0.85 SLC29A1 (0.37) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9

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-0785208-B1 Phosphonate nucleotide compounds MITSUBISHI CHEM CORP (JP) 2001-03-21 EP disclosed
EP-0785208-A1 Phosphonate nucleotide compounds MITSUBISHI CHEMICAL CORPORATION (JP) 1997-07-23 EP disclosed