SCHEMBL19981023

SCHEMBL19981023

C=CC(=O)OCCN(CCOC(=O)C=C)c1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
MYC P01106 1/20 0.36
MAPT P10636 12/20 0.35
SMN1; SMN2 Q16637 7/20 0.35
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 6/20 0.35
MAPK1 P28482 6/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 5/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
TDP1 Q9NUW8 5/20 0.33
NPC1 O15118 4/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 3/20 0.32
HPGD P15428 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL10119249 0.87 MYC (0.40) THRBMYCMAPTSMN1; SMN2ALDH1A1
SCHEMBL10039848 0.83 THRB (0.44) THRBMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL15042117 0.77 MAPT (0.38) MAPTSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL19396760 0.76 MMP14 (0.42) MAPTSMN1; SMN2ALDH1A1L3MBTL1MAPK1
SCHEMBL18085861 0.76 THRB (0.36) THRBMYCMAPTSMN1; SMN2ALDH1A1
SCHEMBL15003869 0.76 THRB (0.38) THRBMAPTALDH1A1MAPK1TP53
SCHEMBL19980951 0.75 MAPT (0.38) THRBMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3437427 0.75 THRB (0.39) THRBMAPTSMN1; SMN2L3MBTL1MAPK1
SCHEMBL23028973 0.74 MAPT (0.40) THRBMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL23028900 0.74 MAPT (0.41) THRBMAPTSMN1; SMN2ALDH1A1LMNA

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