SCHEMBL1496520

SCHEMBL1496520

CC(C)CNc1ccc(NC(=O)Cc2ccccc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
HDAC3 O15379 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
EPHX2 P34913 1/20 0.49
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MCL1 Q07820 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1496476 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL1496563 0.80 TDP1 (0.50) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL11317896 0.78 EPHX2 (0.58) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL11320899 0.75 KMT2A (0.68) MEN1KMT2AHDAC3HDAC1ALDH1A1
SCHEMBL11317939 0.75 POLB (0.60) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL11314927 0.74 KMT2A (0.70) MEN1KMT2AHDAC1ALDH1A1L3MBTL1
SCHEMBL9525046 0.73 EPHX2 (0.60) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL11318494 0.72 TDP1 (0.65) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL11315783 0.72 KMT2A (0.72) MEN1KMT2AHDAC3HDAC1ALDH1A1
Hydrochloric Acid SCHEMBL9626414 0.72 EPHX2 (0.58) MEN1KMT2AHDAC3HDAC1HDAC2

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
WO-2011023722-A1 NOVEL QUINOXALINONE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-03 WO disclosed