SCHEMBL6890005

SCHEMBL6890005

CC(C)(C)c1ccc(OCC(=O)Nc2ccn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ADRB1 P08588 1/20 0.45
DNMT1 P26358 1/20 0.45
NT5E P21589 1/20 0.44
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL6046979 0.85 TYMP (0.45) POLBNT5EABL1RIN1LMNA
SCHEMBL6046965 0.83 NT5E (0.40) POLBNT5ELMNAMAPTALDH1A1
SCHEMBL6046977 0.81 POLB (0.50) POLBABL1RIN1LMNAMAPT
SCHEMBL3626999 0.81 POLB (0.56) POLBADRB1DNMT1ABL1RIN1
SCHEMBL3627002 0.81 POLB (0.56) POLBADRB1DNMT1ABL1RIN1
SCHEMBL21011276 0.81 POLB (0.56) POLBADRB1DNMT1ABL1RIN1
SCHEMBL20346239 0.81 POLB (0.56) POLBADRB1DNMT1ABL1RIN1
SCHEMBL22942033 0.81 POLB (0.56) POLBADRB1DNMT1ABL1RIN1
SCHEMBL22625658 0.81 POLB (0.53) POLBADRB1DNMT1NT5EABL1
SCHEMBL21011163 0.80 POLB (0.62) POLBADRB1DNMT1NT5EABL1

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-1212338-B1 Nucleoside derivatives with photolabile protective groups DEUTSCHES KREBSFORSCH (DE) 2012-11-21 EP disclosed
US-6756492-B1 Nucleoside derivatives with photo-unstable protective groups DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUND DES OFFENTLICHEN RECHTS (DE) 2004-06-29 US disclosed