SCHEMBL28548767

SCHEMBL28548767

CCCNc1c(OCC2CN(C(=O)OC(C)(C)C)C2)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
CHEK2 O96017 2/20 0.36
SCN9A Q15858 1/20 0.35
HCAR3 P49019 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
CRHBP P24387 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR2 Q13324 1/20 0.35
CTPS1 P17812 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
NAMPT P43490 1/20 0.34
RBP4 P02753 1/20 0.33
NR1H2 P55055 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL28556407 0.92 MAPT (0.36) MAPTGAATP53HTTCHEK2
SCHEMBL28557043 0.87 CHEK2 (0.38) CHEK2SCN9AGPR119NAMPTRBP4
SCHEMBL28556408 0.85 MAPT (0.36) MAPTGAATP53HTTHCAR3
SCHEMBL28561982 0.85 RBP4 (0.41) MAPTTP53HTTCHEK2SCN9A
SCHEMBL28548642 0.84 MAPT (0.45) MAPTGAATP53HTTHCAR3
SCHEMBL28548656 0.82 MAPT (0.42) MAPTGAATP53HTTHCAR3
SCHEMBL22857826 0.80 SCN9A (0.42) CHEK2SCN9APKMGPR119RBP4
SCHEMBL22857831 0.78 SCN9A (0.41) CHEK2SCN9APKMGPR119RBP4
SCHEMBL28560847 0.78 CHEK2 (0.38) CHEK2SCN9AGPR119NAMPTNR1H2
SCHEMBL28553322 0.77 KMT2A (0.46) MAPTGAATP53HTTHCAR3

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-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed