SCHEMBL7768487

SCHEMBL7768487

CCOc1ccccc1Sc1nc(N)nc2c1ncn2CCOCP

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.45
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNE1 P24864 2/20 0.36

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
SCHEMBL7769105 0.93 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7773549 0.93 SLC29A1 (0.48) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769652 0.91 SLC29A1 (0.43) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7773599 0.90 CYP1A2 (0.42) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7773524 0.89 SLC29A1 (0.41) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7124708 0.86 FGFR1 (0.48) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7123657 0.85 SLC29A1 (0.41) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7119943 0.84 SLC29A1 (0.40) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769840 0.83 SLC29A1 (0.45) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769665 0.83 CYP1A2 (0.47) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A

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