SCHEMBL7512181

SCHEMBL7512181

CCOc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
HTT P42858 1/20 0.61
PDE4D Q08499 1/20 0.61
PDE3A Q14432 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
ADRB1 P08588 1/20 0.55
DNMT1 P26358 1/20 0.55
CYP1A2 P05177 1/20 0.55
HBB P68871 1/20 0.55
HIF1A Q16665 1/20 0.54
PIM1 P11309 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50

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
SCHEMBL7521665 0.91 PNP (0.58) PNPLMNATP53HTTPDE4D
SCHEMBL17521211 0.91 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL29502677 0.91 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL9141685 0.91 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL21162582 0.91 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL23352546 0.91 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL657819 0.91 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL20059188 0.90 PNP (0.48) PNPLMNATP53HTTPDE4D
SCHEMBL23648144 0.90 PNP (0.61) PNPLMNATP53HTTPDE4D
SCHEMBL7521688 0.88 PNP (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220373437-A1 SYSTEM FOR EVALUATING CHEMO-PREVENTIVE POTENTIAL OF PHC AND ITS PREPARED CHITOSAN NANOPARTICLES ANSARI TARIQUE MAHMOOD (IN) 2022-11-24 US disclosed
EP-2935303-B1 4'-FLUORO-NUCLEOSIDES, 4'-FLUORO-NUCLEOTIDES AND ANALOGS THEREOF FOR THE TREATMENT OF HCV JANSSEN BIOPHARMA INC (US) 2021-02-17 EP disclosed
US-6495346-B1 DO NOT REACT WITH FOREIGN PARTNERS; AMINO ACIDS INSERTED INTO PROTEINS WHICH NATURALLY FORM DIMERS, MUTATED PROTEINS ONLY FORM COMPLEXES WITH THEMSELVES (HOMODIMERS) OR WITH THE MUTATED PARTNER (HETERODIMERS), NOT WITH NONMUTATED STARTING AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-17 US disclosed