SCHEMBL28054865

SCHEMBL28054865

CC(=O)Oc1csc(C(=O)CCN2CCOCC2)c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 6/20 0.44
THRB P10828 4/20 0.44
LMNA P02545 3/20 0.44
THRA P10827 1/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
ALDH3A1 P30838 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MPI P34949 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL17670064 0.79 KMT2A (0.50) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL19460293 0.79 KMT2A (0.44) KMT2AALDH1A1MAPTTHRBLMNA
SCHEMBL16212948 0.79 EED (0.46) KMT2AALDH1A1MAPTTHRBLMNA
SCHEMBL28054866 0.77 KMT2A (0.51) KMT2AALDH1A1MAPTTHRBLMNA
SCHEMBL28054727 0.73 GSK3B (0.40) ALDH1A1LMNAHTTHPGD
SCHEMBL28054734 0.69 EED (0.45) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL16212561 0.67 EED (0.59) KMT2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL16212563 0.67 EED (0.59) KMT2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL16212832 0.67 EED (0.59) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL16212834 0.67 EED (0.59) KMT2AALDH1A1MAPTLMNAHTT

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-105308038-A Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE IP NO 2 LTD 2016-02-03 CN disclosed