SCHEMBL7769652

SCHEMBL7769652

COc1ccccc1Sc1nc(N)nc2c1ncn2CCOCP

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.43
DHFR P00374 2/20 0.43
ADORA2A P29274 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HIF1A Q16665 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90B1 P14625 1/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL7768487 0.91 SLC29A1 (0.45) SLC29A1DHFRADORA2ACYP1A2CYP2C19
SCHEMBL7769105 0.90 SLC29A1 (0.46) SLC29A1DHFRADORA2ACYP1A2CYP2C19
SCHEMBL7773524 0.90 SLC29A1 (0.41) SLC29A1DHFRADORA2ACYP1A2CYP2C19
SCHEMBL7773549 0.90 SLC29A1 (0.48) SLC29A1CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL7773599 0.89 CYP1A2 (0.42) SLC29A1DHFRADORA2ACYP1A2CYP2C19
SCHEMBL7131225 0.86 FGFR1 (0.48) SLC29A1DHFRADORA2ACYP1A2CYP2C19
SCHEMBL7125916 0.85 SLC29A1 (0.39) SLC29A1DHFRADORA2ACYP1A2CYP2C19
SCHEMBL7123661 0.84 DHFR (0.40) SLC29A1DHFRADORA2ACYP1A2CYP2C19
SCHEMBL7769665 0.83 CYP1A2 (0.47) SLC29A1ADORA2ACYP1A2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL7770986 0.83 DHFR (0.40) SLC29A1DHFRADORA2ACYP1A2CYP2C19

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