SCHEMBL21888047

SCHEMBL21888047

CP(=O)(O)SC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA1 P30542 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
EIF4E P06730 1/20 0.39
CYP3A4 P08684 1/20 0.39
TOP1 P11387 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL21887985 0.83 LMNA (0.39) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888941 0.81 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887945 0.81 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888928 0.79 LMNA (0.44) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888121 0.79 LMNA (0.39) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888119 0.79 LMNA (0.47) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888250 0.78 LMNA (0.37) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887949 0.78 LMNA (0.38) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888931 0.78 LMNA (0.38) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888140 0.76 LMNA (0.37) 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