SCHEMBL27601019

SCHEMBL27601019

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2cccs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 1/20 0.64
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
NAAA Q02083 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SNCA P37840 1/20 0.52
HDAC3 O15379 5/20 0.52
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 2/20 0.50
HPGD P15428 1/20 0.50
MLYCD O95822 1/20 0.49
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL28752185 0.88 SNCA (0.55) HDAC8HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL6718542 0.84 NAAA (0.73) HDAC8HDAC6RAB9ANPC1ALDH1A1
SCHEMBL5049475 0.82 NPC1 (0.56) HDAC6RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27619596 0.82 NAAA (0.74) HDAC8RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1853875 0.81 ALDH1A1 (0.55) HDAC6RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5044262 0.81 L3MBTL1 (0.62) HDAC8HDAC6SMN1; SMN2ALDH1A1MAPT
SCHEMBL5045782 0.81 HDAC8 (0.62) HDAC8HDAC6SMN1; SMN2ALDH1A1MAPT
SCHEMBL12158624 0.81 NPC1 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1853826 0.81 MLYCD (0.64) HDAC8SMN1; SMN2ALDH1A1MAPTNAAA
SCHEMBL14842406 0.81 HPGD (0.62) HDAC8HDAC6RAB9ANPC1SMN1; SMN2

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