SCHEMBL21887923

SCHEMBL21887923

NSOC[C@@H]1CC[C@H](n2cnc(C(N)=O)n2)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA1 P30542 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
EIF4E P06730 1/20 0.43
CYP3A4 P08684 1/20 0.43
TOP1 P11387 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CYP1A2 P05177 1/20 0.32
ALB P02768 1/20 0.31
MAPK1 P28482 1/20 0.31
PNP P00491 3/20 0.31

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
SCHEMBL21887965 0.83 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL14304829 0.83 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888889 0.83 LMNA (0.45) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887954 0.83 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13886984 0.83 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL11996917 0.83 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888092 0.83 LMNA (0.48) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888066 0.83 LMNA (0.48) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186252 0.83 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888904 0.82 LMNA (0.44) 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