SCHEMBL2391433

SCHEMBL2391433

Clc1ccc(/C(COc2ccccc2Cl)=N/OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 4/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 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
SCHEMBL2391437 1.00 L3MBTL1 (0.51) L3MBTL1HTTHPGDRXRARXRB
SCHEMBL2396595 0.89 TDP1 (0.49) L3MBTL1HTTRXRARXRBRAB9A
SCHEMBL2396592 0.89 TDP1 (0.49) L3MBTL1HTTRXRARXRBRAB9A
SCHEMBL2396179 0.83 FFAR1 (0.48) L3MBTL1HTTRAB9ANPC1MEN1
SCHEMBL2396180 0.83 FFAR1 (0.48) L3MBTL1HTTRAB9ANPC1MEN1
SCHEMBL5462371 0.81 NPC1 (0.48) L3MBTL1HTTRAB9ANPC1MEN1
SCHEMBL5462367 0.81 NPC1 (0.48) L3MBTL1HTTRAB9ANPC1MEN1
SCHEMBL2395055 0.81 NPC1 (0.46) L3MBTL1RXRARXRBRAB9ANPC1
SCHEMBL2395052 0.81 NPC1 (0.46) L3MBTL1RXRARXRBRAB9ANPC1
SCHEMBL2395009 0.79 L3MBTL1 (0.56) L3MBTL1HTTHPGDRXRARXRB

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
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed