SCHEMBL28119673

SCHEMBL28119673

[CH2]c1cc(C(=O)NCC(O)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
ALOX5 P09917 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6865356 0.91 GAA (0.51) GAAATMLMNAHTTALDH1A1
SCHEMBL10620309 0.91 ALDH1A1 (0.50) GAAATMLMNAHTTALDH1A1
SCHEMBL8374395 0.87 GAA (0.48) GAAATMLMNAHTTALDH1A1
SCHEMBL8906782 0.86 CASR (0.48) GAAATMLMNAHTTALDH1A1
SCHEMBL7594424 0.85 GAA (0.46) GAAATMLMNAHTTALDH1A1
SCHEMBL11341597 0.85 CYP3A4 (0.55) GAAATMLMNAHTTALDH1A1
SCHEMBL7591779 0.84 GAA (0.43) GAAATMLMNAHTTALDH1A1
SCHEMBL8380480 0.83 CASR (0.54) GAAATMLMNAHTTALDH1A1
SCHEMBL8377047 0.83 ALOX5 (0.50) GAALMNAHTTALDH1A1MEN1
SCHEMBL19032974 0.83 GAA (0.44) GAAATMLMNAHTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106366015-B A kind of Preparation Method And Their Intermediate of Iopromide 正大天晴药业集团股份有限公司 2019-01-25 CN disclosed
CN-106366015-A Preparation method and intermediates of iopromide 正大天晴药业集团股份有限公司 2017-02-01 CN disclosed