SCHEMBL7773508

SCHEMBL7773508

CCCCOc1cccc(Sc2nc(N)nc3c2ncn3CCOCP)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.45
DHFR P00374 5/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
ALDH1A1 P00352 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NSD3 Q9BZ95 1/20 0.34
TLR7 Q9NYK1 2/20 0.34

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 0.95 SLC29A1 (0.43) SLC29A1DHFRCYP2C19CYP1A2CYP3A4
SCHEMBL7769647 0.93 SLC29A1 (0.41) SLC29A1DHFRCYP2C19CYP1A2CYP3A4
SCHEMBL7770867 0.90 DHFR (0.45) SLC29A1DHFRCYP2C19CYP1A2CYP3A4
SCHEMBL7769858 0.90 SLC29A1 (0.46) SLC29A1CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL7769186 0.89 CYP1A2 (0.39) SLC29A1DHFRCYP2C19CYP1A2CYP3A4
SCHEMBL7771332 0.88 HSP90AA1 (0.40) SLC29A1DHFRCYP2C19CYP1A2CYP3A4
SCHEMBL7125887 0.87 FGFR1 (0.45) SLC29A1DHFRCYP2C19CYP1A2CYP3A4
SCHEMBL7769662 0.86 CYP2C19 (0.44) SLC29A1CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL7773535 0.85 SLC29A1 (0.44) SLC29A1DHFRCYP2C19CYP1A2CYP3A4
SCHEMBL7128310 0.85 SLC29A1 (0.41) SLC29A1DHFRCYP2C19CYP1A2CYP3A4

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