SCHEMBL5897238

SCHEMBL5897238

NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)O)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.69
▸ ADORA1 P30542 3/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ TSHR P16473 2/20 0.69
▸ GLA P06280 1/20 0.69
▸ EIF4E P06730 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ TOP1 P11387 1/20 0.69
▸ THPO P40225 1/20 0.69
▸ PMP22 Q01453 1/20 0.69
▸ PNP P00491 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTR2C P28335 1/20 0.42

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
SCHEMBL6913779 0.89 LMNA (0.54) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL6918155 0.87 LMNA (0.52) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL6908769 0.86 LMNA (0.51) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL6916796 0.86 LMNA (0.51) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
Ribavirin SCHEMBL18486574 0.86 LMNA (0.82) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL15031296 0.85 LMNA (0.74) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
Ribavirin SCHEMBL1200226 0.85 LMNA (0.90) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
Ribavirin SCHEMBL572829 0.85 LMNA (0.90) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
Ribavirin SCHEMBL5473652 0.84 LMNA (0.88) LMNASMN1; SMN2ADORA1ALDH1A1TSHR
SCHEMBL12879138 0.84 LMNA (0.68) LMNASMN1; SMN2ADORA1ALDH1A1TSHR

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
US-7083961-B1 Crystal structures of T. foetus inosine monophosphate dehydrogenase in complex with substrate, cofactor and analogs and uses thereof REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-08-01 — — US claimed
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