SCHEMBL21888075

SCHEMBL21888075

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
EIF4E P06730 1/20 0.41
CYP3A4 P08684 1/20 0.41
TOP1 P11387 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
P2RY2 P41231 2/20 0.33
P2RY4 P51582 2/20 0.33
P2RY14 Q15391 2/20 0.33
ATIC P31939 2/20 0.32
P2RY6 Q15077 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL21887950 0.82 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13082412 0.78 LMNA (0.64) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888905 0.76 LMNA (0.47) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887953 0.76 LMNA (0.44) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888946 0.75 LMNA (0.39) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13082358 0.75 P2RX3 (0.48) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888932 0.74 LMNA (0.45) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887964 0.73 LMNA (0.43) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888146 0.72 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888051 0.70 LMNA (0.41) 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