SCHEMBL7769858

SCHEMBL7769858

CCCCOc1ccc(Sc2nc(N)nc3c2ncn3CCOCP)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.46
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
NSD3 Q9BZ95 7/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
NSD2 O96028 6/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
TSHR P16473 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
SCHEMBL7769662 0.96 CYP2C19 (0.44) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7771327 0.93 CYP1A2 (0.42) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7770897 0.90 NSD3 (0.45) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7773508 0.90 SLC29A1 (0.45) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7769253 0.89 SLC29A1 (0.41) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7769599 0.87 SLC29A1 (0.40) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7119964 0.86 FGFR1 (0.48) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7769665 0.86 CYP1A2 (0.47) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7770913 0.85 SLC29A1 (0.43) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7116885 0.84 SLC29A1 (0.41) 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