SCHEMBL19980951

SCHEMBL19980951

C=CC(=O)OCCN(CCOC(=O)C=C)c1ccc(/N=N/c2ccc(N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 4/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
TSHR P16473 7/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 2/20 0.35
MAOA P21397 1/20 0.35
HTR3A P46098 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL13206328 0.93 ESRRG (0.42) MAPTRAB9ANPC1THRBMEN1
SCHEMBL14679866 0.92 THRB (0.43) MAPTRAB9ANPC1THRBTDP1
SCHEMBL15003869 0.88 THRB (0.38) MAPTRAB9ANPC1THRBMEN1
SCHEMBL19981010 0.84 THRB (0.38) THRBTDP1L3MBTL1PHLPP2TSHR
SCHEMBL19904030 0.84 TSHR (0.49) MAPTTHRBTDP1L3MBTL1PHLPP2
SCHEMBL622489 0.83 MMP14 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL10119273 0.83 MMP14 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL23028900 0.81 MAPT (0.41) MAPTRAB9ANPC1THRBMEN1
SCHEMBL23028973 0.81 MAPT (0.40) MAPTRAB9ANPC1THRBMEN1
SCHEMBL10039848 0.81 THRB (0.44) MAPTRAB9ANPC1THRBMEN1

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
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed