SCHEMBL21888080

SCHEMBL21888080

NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)N3CCOCC3)C[C@H]2O)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA1 P30542 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
EIF4E P06730 1/20 0.43
CYP3A4 P08684 1/20 0.43
TOP1 P11387 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ATIC P31939 2/20 0.34
FBP1 P09467 1/20 0.34
PNP P00491 3/20 0.33
NT5E P21589 1/20 0.30

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
SCHEMBL21888903 0.85 LMNA (0.58) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL24024477 0.85 LMNA (0.58) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887980 0.84 LMNA (0.37) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887941 0.82 LMNA (0.46) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888132 0.82 LMNA (0.45) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888256 0.79 LMNA (0.36) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13754496 0.77 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL7572207 0.77 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186245 0.77 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186258 0.77 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA

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