SCHEMBL28942011

SCHEMBL28942011

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2nccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HDAC3 O15379 6/20 0.47
MLYCD O95822 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 3/20 0.46
CA2 P00918 1/20 0.46
NAMPT P43490 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL28752186 0.87 SMN1; SMN2 (0.49) NAAAL3MBTL1HDAC3MLYCDHDAC8
SCHEMBL27619596 0.82 NAAA (0.74) NAAAL3MBTL1HDAC3MLYCDHDAC1
SCHEMBL1855827 0.81 NAAA (0.47) NAAAL3MBTL1HDAC3MLYCDHDAC1
SCHEMBL27601019 0.80 HDAC8 (0.64) NAAAL3MBTL1HDAC3MLYCDHDAC1
SCHEMBL5044262 0.80 L3MBTL1 (0.62) NAAAL3MBTL1HDAC3MLYCDHDAC1
SCHEMBL6718542 0.80 NAAA (0.73) NAAAL3MBTL1HDAC3MLYCDHDAC1
SCHEMBL5045782 0.79 HDAC8 (0.62) NAAAL3MBTL1HDAC3MLYCDHDAC1
SCHEMBL27601093 0.79 HPGD (0.60) NAAAL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL28752188 0.77 TRPV1 (0.69) NAAAL3MBTL1LMNAALDH1A1MAPT
SCHEMBL27619622 0.76 NPC1 (0.72) NAAAL3MBTL1HDAC3MLYCDHDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed