SCHEMBL21888092

SCHEMBL21888092

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADORA1 P30542 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
GLA P06280 1/20 0.48
EIF4E P06730 1/20 0.48
TOP1 P11387 1/20 0.48
TSHR P16473 1/20 0.48
THPO P40225 1/20 0.48
PMP22 Q01453 1/20 0.48
SLC6A3 Q01959 3/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
PNP P00491 3/20 0.34
ALB P02768 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 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
SCHEMBL21888066 1.00 LMNA (0.48) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL13886984 0.89 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL11996917 0.89 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL13186252 0.89 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL10283916 0.88 LMNA (0.47) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL21888094 0.85 LMNA (0.44) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL21887923 0.83 LMNA (0.43) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL21888945 0.83 LMNA (0.43) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL14304821 0.82 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4
SCHEMBL21887965 0.82 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1CYP3A4

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