SCHEMBL9856461

SCHEMBL9856461

CC(=O)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA9 Q16790 10/20 0.46
CA12 O43570 8/20 0.46
CA14 Q9ULX7 8/20 0.46
PRKCA P17252 1/20 0.44
AKT1 P31749 1/20 0.44
PTK2 Q05397 1/20 0.44
TSHR P16473 1/20 0.43
PTPN1 P18031 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42

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
SCHEMBL31685675 1.00 LMNA (0.52) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL2583271 1.00 LMNA (0.52) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL11790088 0.92 LMNA (0.45) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL2584864 0.91 LMNA (0.44) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL10891761 0.91 ALDH1A1 (0.45) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL10889211 0.91 LMNA (0.45) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL10891754 0.91 ALDH1A1 (0.45) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL10889208 0.91 LMNA (0.45) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL31685489 0.89 LMNA (0.52) LMNATHRBSMN1; SMN2HIF1AALDH1A1
SCHEMBL6223971 0.89 LMNA (0.41) LMNATHRBSMN1; SMN2HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409227-A2 Pyrimidine nucleosides, their preparation and pharmaceutical preparations MATTHES, Eckart, Dr. (DE) 1991-01-23 EP disclosed