SCHEMBL21887965

SCHEMBL21887965

NC(=O)c1ncn([C@H]2CC[C@@H](COS(N)(=O)=O)O2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA1 P30542 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
EIF4E P06730 1/20 0.42
CYP3A4 P08684 1/20 0.42
TOP1 P11387 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
PMP22 Q01453 1/20 0.42
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
ATG7 O95352 14/20 0.35
CA2 P00918 1/20 0.34

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 0.90 ATG7 (0.37) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887923 0.83 LMNA (0.43) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887954 0.82 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL14304829 0.82 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888889 0.82 LMNA (0.45) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186252 0.82 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888092 0.82 LMNA (0.48) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL11996917 0.82 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888066 0.82 LMNA (0.48) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13886984 0.82 LMNA (0.54) 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