SCHEMBL28702160

SCHEMBL28702160

O=c1[nH]c(=O)c2ncn(CCCl)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.54
MAPT P10636 1/20 0.38
ADORA2B P29275 1/20 0.38
TK1 P04183 1/20 0.36
GDA Q9Y2T3 1/20 0.36
GAA P10253 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
KMT2A Q03164 1/20 0.34
HPRT1 P00492 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL27414457 0.84 PNP (0.54) PNPTK1GDAGAAKMT2A
SCHEMBL7530556 0.84 PNP (0.57) PNPADORA2BTK1KMT2AHPRT1
SCHEMBL5054173 0.84 PNP (0.54) PNPADORA2BGDAGAAKMT2A
SCHEMBL6233163 0.81 PNP (0.58) PNPTK1GDAGAAKMT2A
SCHEMBL8884657 0.80 PNP (0.51) PNPGDAGAAKMT2AALDH1A1
SCHEMBL380137 0.80 PNP (0.50) PNPTK1GDAGAAKMT2A
SCHEMBL27586845 0.80 PNP (0.53) PNPTK1GDAKMT2AHPRT1
SCHEMBL27573642 0.80 PNP (0.50) PNPTK1GDAKMT2AHPRT1
SCHEMBL11661807 0.79 PNP (0.62) PNPTK1GAAKMT2AHPRT1
SCHEMBL27621961 0.79 PNP (0.50) PNPTK1GDAHPRT1

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-113924001-A Food supplement 米克罗皮公司 2022-01-11 CN disclosed