SCHEMBL21887967

SCHEMBL21887967

NC(=S)c1ncn([C@@H]2O[C@H](COS(N)(=O)=O)C[C@H]2O)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 10/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 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
ADORA1 P30542 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
PNP P00491 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 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
SCHEMBL21888108 0.81 ATG7 (0.37) ATG7LMNASMN1; SMN2ALDH1A1GLA
SCHEMBL9780396 0.81 ATG7 (0.56) ATG7LMNASMN1; SMN2ALDH1A1GLA
SCHEMBL21888937 0.80 ATG7 (0.36) ATG7LMNASMN1; SMN2ALDH1A1GLA
SCHEMBL21888891 0.74 LMNA (0.51) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL13754496 0.73 LMNA (0.62) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL13186258 0.73 LMNA (0.62) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL21888073 0.72 PNP (0.48) LMNASMN1; SMN2ALDH1A1GLAEIF4E
SCHEMBL24024488 0.71 LMNA (0.69) ATG7LMNASMN1; SMN2ALDH1A1GLA
SCHEMBL21887965 0.71 LMNA (0.42) ATG7LMNASMN1; SMN2ALDH1A1GLA
SCHEMBL7572340 0.71 LMNA (0.69) ATG7LMNASMN1; SMN2ALDH1A1GLA

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