SCHEMBL21887953

SCHEMBL21887953

C=CP(=O)(O)OC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADORA1 P30542 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
EIF4E P06730 1/20 0.44
CYP3A4 P08684 1/20 0.44
TOP1 P11387 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
PNP P00491 3/20 0.33
ATIC P31939 2/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL21888905 0.87 LMNA (0.47) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888932 0.85 LMNA (0.45) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887964 0.83 LMNA (0.43) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL24024493 0.82 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL24024667 0.82 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888146 0.82 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888132 0.81 LMNA (0.45) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888137 0.79 LMNA (0.49) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888119 0.77 LMNA (0.47) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888929 0.77 LMNA (0.42) 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