SCHEMBL7765684

SCHEMBL7765684

CCOc1cccc(Sc2nc(N)nc3c2ncn3CC(C)OCP)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.44
CYP1A2 P05177 5/20 0.42
CYP2C19 P33261 5/20 0.40
CYP2C9 P11712 4/20 0.40
HIF1A Q16665 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 3/20 0.40
TP53 P04637 1/20 0.40
HK1 P19367 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
ALDH1A1 P00352 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
DHFR P00374 3/20 0.35
NOTUM Q6P988 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 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
SCHEMBL7771009 0.93 SLC29A1 (0.45) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7773535 0.92 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7771297 0.92 SLC29A1 (0.43) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769319 0.92 DHFR (0.44) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7769188 0.91 SLC29A1 (0.42) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7773604 0.89 SLC29A1 (0.47) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7121168 0.87 CYP3A4 (0.49) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7773551 0.87 CYP1A2 (0.49) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7125190 0.85 SLC29A1 (0.39) SLC29A1CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL7118006 0.85 SLC29A1 (0.39) 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