SCHEMBL29434876

SCHEMBL29434876

COc1cc(C(C)=NO)c(O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
HTT P42858 2/20 0.44
HMGCR P04035 1/20 0.38
RECQL P46063 1/20 0.36
MAPK1 P28482 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 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
SCHEMBL29434854 1.00 MGLL (0.49) MGLLESR1ESR2HTTHMGCR
SCHEMBL23842814 0.86 MGLL (0.40) MGLLESR1ESR2HTTMAPK1
SCHEMBL29434878 0.79 HTT (0.72) HTTHMGCRRECQLMAPK1MAPT
SCHEMBL875686 0.79 HTT (0.72) HTTHMGCRRECQLMAPK1MAPT
SCHEMBL12016645 0.77 MGLL (0.53) MGLLESR1ESR2HTTMAPT
SCHEMBL6850487 0.75 MGLL (0.51) MGLLESR1ESR2MAPK1MAPT
SCHEMBL19383341 0.75 MGLL (0.51) MGLLESR1ESR2SMN1; SMN2
SCHEMBL12004629 0.75 MGLL (0.51) MGLLESR1ESR2MAPK1MAPT
SCHEMBL24436801 0.73 MAPK1 (0.42) HTTHMGCRMAPK1MAPTRAB9A
SCHEMBL16173473 0.73 MAOB (0.46) HTTHMGCRMAPK1RAB9AALDH1A1

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
CN-109503686-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2022-03-11 CN disclosed