SCHEMBL622489

SCHEMBL622489

C=CC(=O)OCCN(CCOC(=O)C=C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.47
MAPT P10636 8/20 0.43
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
TGM2 P21980 1/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
HSP90AA1 P07900 2/20 0.38
AGTR1 P30556 1/20 0.38
PPARD Q03181 2/20 0.38
MAPK1 P28482 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL10119273 1.00 MMP14 (0.47) MMP14MAPTALDH1A1POLBGAA
SCHEMBL18210984 0.94 MMP14 (0.43) MMP14MAPTALDH1A1POLBGAA
SCHEMBL623412 0.93 MMP14 (0.47) MMP14MAPTALDH1A1POLBGAA
SCHEMBL623413 0.93 MMP14 (0.47) MMP14MAPTALDH1A1POLBGAA
SCHEMBL19850341 0.92 MMP14 (0.43) MMP14MAPTALDH1A1POLBGAA
SCHEMBL10039851 0.92 ALDH1A1 (0.42) MMP14MAPTALDH1A1POLBGAA
SCHEMBL19396760 0.88 MMP14 (0.42) MMP14MAPTALDH1A1POLBGAA
SCHEMBL8341136 0.87 MAPT (0.46) MMP14MAPTALDH1A1POLBGAA
SCHEMBL16311863 0.87 ATM (0.43) MMP14MAPTALDH1A1POLBGAA
SCHEMBL30887120 0.85 MMP14 (0.36) MMP14MAPTALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
EP-2601268-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2013-06-12 EP disclosed
WO-2012019704-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2012-02-16 WO disclosed