SCHEMBL7773545

SCHEMBL7773545

CCCOc1ccc(Sc2nc(N)nc3c2ncn3CC(C)OCP)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.48
CYP1A2 P05177 5/20 0.41
CYP2C19 P33261 5/20 0.39
CYP2D6 P10635 5/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2C9 P11712 4/20 0.39
HIF1A Q16665 4/20 0.39
TP53 P04637 1/20 0.39
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
HK1 P19367 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
SRC P12931 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
SCHEMBL7769196 0.96 SLC29A1 (0.48) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7773604 0.93 SLC29A1 (0.47) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7769563 0.90 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7771395 0.90 SLC29A1 (0.45) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7771009 0.89 SLC29A1 (0.45) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7765675 0.89 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7122259 0.87 CYP3A4 (0.51) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7773535 0.87 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7773551 0.86 CYP1A2 (0.49) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL7118055 0.85 SLC29A1 (0.42) SLC29A1CYP1A2CYP2C19CYP2D6CYP3A4

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