SCHEMBL21151086

SCHEMBL21151086

CC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1cnc2c(ncn2[C@H]2CC(O)[C@@H](CO)O2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
PNP P00491 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
ADRB1 P08588 1/20 0.43
DNMT1 P26358 1/20 0.43

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
SCHEMBL17037313 1.00 HIF1A (0.49) HIF1APNPLMNATP53HTT
SCHEMBL17026410 1.00 HIF1A (0.49) HIF1APNPLMNATP53HTT
SCHEMBL17026411 1.00 HIF1A (0.49) HIF1APNPLMNATP53HTT
SCHEMBL21110515 1.00 HIF1A (0.49) HIF1APNPLMNATP53HTT
SCHEMBL16964671 0.99 HIF1A (0.50) HIF1APNPLMNATP53HTT
SCHEMBL16964672 0.99 HIF1A (0.50) HIF1APNPLMNATP53HTT
SCHEMBL21151113 0.91 HIF1A (0.45) HIF1APNPLMNATP53HTT
SCHEMBL21087353 0.91 HIF1A (0.45) HIF1APNPLMNATP53HTT
SCHEMBL17037306 0.91 HIF1A (0.45) HIF1APNPLMNATP53HTT
SCHEMBL17037308 0.91 HIF1A (0.56) HIF1APNPLMNATP53HTT

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-2900681-B1 PHARMACEUTICAL COMPOSITION COMPRISING LIPOPHILIC NUCLEOSIDES IONOVATION GMBH (DE) 2019-07-10 EP disclosed