SCHEMBL28054866

SCHEMBL28054866

Cc1c(CC(=O)O)csc1C(=O)CCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MAPT P10636 6/20 0.51
GLA P06280 1/20 0.46
LMNA P02545 2/20 0.45
MPI P34949 1/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.43
ALDH3A1 P30838 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 3/20 0.42
THRA P10827 2/20 0.42
GSK3B P49841 1/20 0.42
RAB9A P51151 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
SCHEMBL19460293 0.84 KMT2A (0.44) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL17670064 0.82 KMT2A (0.50) KMT2AALDH1A1MAPTGLALMNA
SCHEMBL28054865 0.77 KMT2A (0.44) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL16212948 0.77 EED (0.46) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL28054736 0.70 EED (0.47) KMT2AALDH1A1MAPTLMNAL3MBTL1
SCHEMBL16212834 0.70 EED (0.59) KMT2AALDH1A1MAPTGLALMNA
SCHEMBL16212833 0.70 EED (0.59) KMT2AALDH1A1MAPTGLALMNA
SCHEMBL16212832 0.70 EED (0.59) KMT2AALDH1A1MAPTGLALMNA
SCHEMBL9512833 0.69 ALDH1A1 (0.84) KMT2AALDH1A1MAPTLMNAMPI
SCHEMBL12123790 0.69 ALDH1A1 (0.73) KMT2AALDH1A1MAPTLMNAMPI

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