SCHEMBL21887943

SCHEMBL21887943

NC(=O)c1ncn([C@H]2C[C@H](O)[C@@H](CCP(=O)(O)O)O2)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 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ADRB1 P08588 1/20 0.35
DNMT1 P26358 1/20 0.35
NT5E P21589 1/20 0.35
PNP P00491 2/20 0.34
P2RY2 P41231 1/20 0.34

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
SCHEMBL13769963 0.83 LMNA (0.52) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL11654049 0.83 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13754497 0.83 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL11654052 0.83 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186246 0.83 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL6031549 0.83 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13186247 0.83 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL18735265 0.83 LMNA (0.62) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL21888928 0.82 LMNA (0.44) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL24024696 0.80 LMNA (0.70) 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