SCHEMBL21887941

SCHEMBL21887941

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADORA1 P30542 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
EIF4E P06730 1/20 0.46
CYP3A4 P08684 1/20 0.46
TOP1 P11387 1/20 0.46
TSHR P16473 1/20 0.46
THPO P40225 1/20 0.46
PMP22 Q01453 1/20 0.46
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
ATIC P31939 2/20 0.36
FBP1 P09467 1/20 0.36
PNP P00491 3/20 0.34
NT5E P21589 5/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL21888132 0.85 LMNA (0.45) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887963 0.82 LMNA (0.39) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL24024671 0.82 LMNA (0.64) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL24024487 0.82 LMNA (0.64) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888080 0.82 LMNA (0.43) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL7572207 0.80 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13754496 0.80 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186258 0.80 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186245 0.80 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888073 0.80 PNP (0.48) 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