SCHEMBL21887963

SCHEMBL21887963

NC(=O)c1ncn([C@H]2CC[C@@H](COP(=O)(O)CF)O2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADORA1 P30542 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
EIF4E P06730 1/20 0.39
CYP3A4 P08684 1/20 0.39
TOP1 P11387 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
FBP1 P09467 1/20 0.31
ATIC P31939 1/20 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
SCHEMBL21887982 0.89 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887954 0.89 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887944 0.88 LMNA (0.39) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887946 0.87 LMNA (0.41) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887961 0.84 LMNA (0.39) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887941 0.82 LMNA (0.46) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887980 0.82 LMNA (0.37) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888931 0.82 LMNA (0.38) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888906 0.81 LMNA (0.36) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888938 0.80 PNP (0.41) 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