SCHEMBL21888094

SCHEMBL21888094

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADORA1 P30542 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
EIF4E P06730 1/20 0.44
CYP3A4 P08684 1/20 0.44
TOP1 P11387 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
PNP P00491 3/20 0.33
MAOB P27338 2/20 0.31
ALB P02768 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL11996917 0.85 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888066 0.85 LMNA (0.48) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13886984 0.85 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186252 0.85 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888092 0.85 LMNA (0.48) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL10283916 0.84 LMNA (0.47) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887923 0.79 LMNA (0.43) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888945 0.79 LMNA (0.43) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887954 0.78 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888889 0.78 LMNA (0.45) 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