SCHEMBL21887964

SCHEMBL21887964

NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)c3ccccc3)C(=O)[C@H]2O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA1 P30542 2/20 0.43
ALDH1A1 P00352 1/20 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 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ATIC P31939 2/20 0.33
FBP1 P09467 1/20 0.33
PNP P00491 3/20 0.33
P2RY6 Q15077 1/20 0.30
DNPH1 O43598 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
SCHEMBL21888905 0.86 LMNA (0.47) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888932 0.84 LMNA (0.45) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887953 0.83 LMNA (0.44) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888123 0.83 LMNA (0.39) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21887955 0.82 LMNA (0.61) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888146 0.81 LMNA (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888140 0.81 LMNA (0.37) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888137 0.79 LMNA (0.49) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888930 0.77 TYMS (0.42) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888119 0.76 LMNA (0.47) 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