SCHEMBL21888073

SCHEMBL21888073

N=C(N)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)C[C@H]2O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.48
FBP1 P09467 2/20 0.40
ATIC P31939 2/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ADORA1 P30542 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
EIF4E P06730 1/20 0.38
CYP3A4 P08684 1/20 0.38
TOP1 P11387 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
DNPH1 O43598 1/20 0.37
PRKAB2 O43741 1/20 0.37
TRPM2 O94759 1/20 0.37
LDHA P00338 1/20 0.37

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
SCHEMBL24024481 0.81 PNP (0.67) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL13780801 0.81 PNP (0.67) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL24024489 0.81 PNP (0.67) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL21887948 0.81 PNP (0.41) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL21888938 0.81 PNP (0.41) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL21887941 0.80 LMNA (0.46) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL21888132 0.79 LMNA (0.45) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL21888080 0.77 LMNA (0.43) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL21888254 0.75 PNP (0.40) PNPFBP1ATICLMNASMN1; SMN2
SCHEMBL13754496 0.73 LMNA (0.62) PNPLMNASMN1; SMN2ADORA1ALDH1A1

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
WO-2020072931-A2 PRE-ACTIVATED NUCLEOSIDE IMPDH INHIBITORS AS ANTI-INFECTIVE DRUGS OCTAGON THERAPEUTICS INC. (US) 2020-04-09 WO disclosed