SCHEMBL19980955

SCHEMBL19980955

C=CC(=O)OCCN(CC)c1ccc(N)c(NC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC3 O15379 3/20 0.38
S100B P04271 1/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL19980897 0.94 HDAC1 (0.40) HDAC1HDAC2HDAC3HPGDTSHR
SCHEMBL18633372 0.84 THRB (0.37) HDAC1HDAC2HDAC3MAPTKDM4E
SCHEMBL19903974 0.83 S100B (0.55) S100BMAPTKDM4ELMNASMN1; SMN2
SCHEMBL19980984 0.83 HDAC1 (0.40) HDAC1HDAC2HDAC3KDM4EALDH1A1
SCHEMBL6075087 0.81 S100B (0.51) HDAC1HDAC2HDAC3S100BMAPT
SCHEMBL19980976 0.80 HDAC1 (0.41) HDAC1HDAC2HDAC3TSHRPOLB
SCHEMBL21117538 0.79 BTK (0.37) HDAC1HDAC2MAPTKDM4EHPGD
SCHEMBL19904030 0.79 TSHR (0.49) MAPTKDM4ELMNAHPGDTSHR
SCHEMBL22212876 0.78 HDAC1 (0.46) HDAC1HDAC2HDAC3TSHR
SCHEMBL19980935 0.77 THRB (0.36) S100BMAPTKDM4EHPGDTSHR

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