SCHEMBL28200212

SCHEMBL28200212

NNC(=O)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
MGLL Q99685 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MYOC Q99972 1/20 0.47
HGFAC Q04756 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 1/20 0.45
CES2 O00748 1/20 0.45

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
SCHEMBL7063519 0.84 GAA (0.65) GAAKMT2APKMBCL9CTNNB1
SCHEMBL15775217 0.83 MGLL (0.57) GAAKMT2APKMBCL9CTNNB1
SCHEMBL28200099 0.81 F2 (0.53) GAAKMT2AALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL27724857 0.81 MGLL (0.56) GAAKMT2APKMBCL9CTNNB1
SCHEMBL7061678 0.79 GAA (0.60) GAAKMT2APKMBCL9CTNNB1
SCHEMBL8578508 0.79 GAA (0.59) GAAKMT2APKMBCL9CTNNB1
SCHEMBL3989423 0.77 GAA (0.62) GAAKMT2APKMBCL9CTNNB1
SCHEMBL9486189 0.77 GAA (0.57) GAAKMT2APKMBCL9CTNNB1
SCHEMBL8741192 0.77 ALDH1A1 (0.60) GAAKMT2APKMBCL9CTNNB1
SCHEMBL211182 0.77 GAA (0.61) GAAKMT2APKMBCL9CTNNB1

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-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed