SCHEMBL28752190

SCHEMBL28752190

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2ccc(I)cc2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MLYCD O95822 1/20 0.46
HPGD P15428 1/20 0.46
CA2 P00918 1/20 0.45
NAAA Q02083 2/20 0.44
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42
LMNA P02545 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
SCHEMBL5048873 0.87 MLYCD (0.54) L3MBTL1MLYCDHPGDCA2NAAA
SCHEMBL27619609 0.85 NAAA (0.50) FOLH1L3MBTL1MLYCDCA2NAAA
SCHEMBL27619621 0.85 NAAA (0.48) L3MBTL1HPGDCA2NAAAHDAC3
SCHEMBL5044219 0.84 MLYCD (0.48) L3MBTL1MLYCDHPGDHDAC3HDAC1
SCHEMBL5045568 0.83 FOLH1 (0.46) FOLH1L3MBTL1MLYCDHPGDCA2
SCHEMBL1856841 0.82 FOLH1 (0.48) FOLH1L3MBTL1MLYCDHPGDCA2
SCHEMBL5044055 0.80 MLYCD (0.51) MLYCDNAAAHDAC3HDAC1HDAC2
SCHEMBL5044232 0.78 MAPK14 (0.49) MLYCDHPGDHDAC3HDAC1SMN1; SMN2
SCHEMBL24153985 0.77 L3MBTL1 (0.73) FOLH1L3MBTL1MLYCDCA2NAAA
SCHEMBL23627359 0.77 L3MBTL1 (0.73) FOLH1L3MBTL1MLYCDCA2NAAA

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