SCHEMBL28053828

SCHEMBL28053828

[CH2]c1ccc([N+](=O)[O-])c(OCC(OC)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
AR P10275 1/20 0.42
PELP1 Q8IZL8 1/20 0.42
MYC P01106 2/20 0.40
MAX P61244 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
EP300 Q09472 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL16952275 0.81 MAPT (0.57) L3MBTL1MAPTALDH1A1TDP1KMT2A
SCHEMBL423843 0.79 ALDH1A1 (0.56) L3MBTL1MAPTALDH1A1TDP1LMNA
SCHEMBL28003323 0.78 AKR1C3 (0.49) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL7174351 0.75 HSPB1 (0.46) L3MBTL1MAPTALDH1A1TDP1KMT2A
SCHEMBL28078625 0.75 PDK1 (0.47) L3MBTL1MAPTALDH1A1TDP1KMT2A
SCHEMBL28017613 0.73 MAPT (0.40) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL22025631 0.72 MAPT (0.47) L3MBTL1MAPTALDH1A1TDP1KMT2A
SCHEMBL27914911 0.72 TSHR (0.38) L3MBTL1MAPTALDH1A1TDP1KMT2A
SCHEMBL10582384 0.71 RAB9A (0.54) L3MBTL1MAPTALDH1A1TDP1KMT2A
SCHEMBL11592413 0.71 ALDH1A1 (0.39) L3MBTL1MAPTALDH1A1TDP1KMT2A

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-103664845-B The preparation method of amino-2, the 3-Dihydrobenzofuranes-4-formic acid of a kind of Plk kinase inhibitor drug intermediate 7- HUNAN OUYA BIOLOGICAL Co.,Ltd. (CN) 2016-02-10 CN disclosed