SCHEMBL3940787

SCHEMBL3940787

Nc1nc(O)nc2c1ncn2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.78
LMNA P02545 1/20 0.78
TP53 P04637 1/20 0.78
HTT P42858 1/20 0.78
PDE4D Q08499 1/20 0.78
PDE3A Q14432 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
RXFP1 Q9HBX9 1/20 0.78
ADRB1 P08588 1/20 0.58
DNMT1 P26358 1/20 0.58
HIF1A Q16665 1/20 0.56
PIM1 P11309 1/20 0.55
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55
NT5E P21589 1/20 0.55

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
SCHEMBL998385 1.00 PNP (0.78) PNPLMNATP53HTTPDE4D
SCHEMBL5982283 0.90 LMNA (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL5790133 0.90 LMNA (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL976991 0.90 LMNA (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL5982273 0.90 LMNA (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL23982169 0.90 LMNA (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL15623873 0.90 LMNA (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL976990 0.90 LMNA (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL1470361 0.90 LMNA (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL8712178 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531312-B2 Simplified biological evaluation method of natural and artificial chemicals by using DNA injury index and apparatus therefor TAS PROJECT CO., LTD. (JP) 2009-05-12 US disclosed
US-20060099634-A1 Simplified biological evaluation method of natural and artificial chemicals by using DNA injury index and apparatus therefor ECOLOGICAL TECHNOLOGY RESEARCH, LTD. (JP) 2006-05-11 US disclosed
US-20030186260-A1 Simple method of biologically evaluating natural and artificial chemicals by using dna injury index and apparatus therefor ECOLOGICAL TECHNOLOGY RESEARCH, LTD. (JP) 2003-10-02 US disclosed
EP-1267162-A1 SIMPLE METHOD OF BIOLOGICALLY EVALUATING NATURAL AND ARTIFICIAL CHEMICALS BY USING DNA INJURY INDEX AND APPARATUS THEREFOR Ecological Technology Research, Ltd. (JP) 2002-12-18 EP disclosed