SCHEMBL28158274

SCHEMBL28158274

N=C(N)NCC(=O)OCCOC(=O)CNC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
TET2 Q6N021 1/20 0.31
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.31
TSHR P16473 1/20 0.31
CHRNB2 P17787 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL23028673 0.90 MEN1 (0.33) MEN1KMT2ATDP1GAAPOLB
SCHEMBL4110620 0.88 GAA (0.38) MEN1KMT2ATDP1GAAPOLB
SCHEMBL28195253 0.85 NAAA (0.44) MEN1KMT2ATDP1GAAPOLB
SCHEMBL27364282 0.84 GAA (0.33) GAATET2ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5456199 0.83 CHRM1 (0.53) MEN1KMT2AGAACHRM2CHRM4
SCHEMBL27924099 0.83 NAAA (0.52) TDP1DGKA
SCHEMBL14520099 0.83 CYP19A1 (0.40) MEN1KMT2ATDP1GAATSHR
SCHEMBL27868657 0.83 GAA (0.32) MEN1KMT2AGAA
SCHEMBL4104132 0.83 GAA (0.53) MEN1KMT2AGAALMNATSHR
SCHEMBL11070272 0.82 NAAA (0.55) TSHRDGKA

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-107000386-A Poly- (vinyl acetal) resin combination, layer and interlayer with enhanced optical characteristics 首诺公司 2017-08-01 CN disclosed