SCHEMBL7769253

SCHEMBL7769253

CC(C)COc1ccc(Sc2nc(N)nc3c2ncn3CCOCP)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.41
CYP1A2 P05177 5/20 0.39
CYP2C19 P33261 5/20 0.39
CYP2C9 P11712 4/20 0.39
HIF1A Q16665 4/20 0.39
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 3/20 0.39
TP53 P04637 1/20 0.38
NSD3 Q9BZ95 6/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HK1 P19367 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
NSD2 O96028 5/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
DHFR P00374 1/20 0.33

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
SCHEMBL7769599 0.90 SLC29A1 (0.40) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7771327 0.89 CYP1A2 (0.42) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769186 0.89 CYP1A2 (0.39) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769662 0.89 CYP2C19 (0.44) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769858 0.89 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7770897 0.88 NSD3 (0.45) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7123639 0.87 FGFR1 (0.47) SLC29A1CYP1A2CYP2C19HK1HKDC1
SCHEMBL7128635 0.85 SLC29A1 (0.38) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769563 0.85 SLC29A1 (0.46) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7117962 0.84 SLC29A1 (0.37) 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