SCHEMBL27601033

SCHEMBL27601033

CCCCCCCCCCCCNC(=O)c1ccc(CNc2ccc(I)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
FOLH1 Q04609 5/20 0.57
NAAA Q02083 2/20 0.55
MLYCD O95822 1/20 0.52
HDAC3 O15379 6/20 0.52
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC8 Q9BY41 2/20 0.51
CA2 P00918 1/20 0.51
NAMPT P43490 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
HDAC11 Q96DB2 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
SCHEMBL23627359 0.87 L3MBTL1 (0.73) L3MBTL1FOLH1NAAAMLYCDCA2
SCHEMBL24153985 0.87 L3MBTL1 (0.73) L3MBTL1FOLH1NAAAMLYCDCA2
SCHEMBL1859906 0.85 MLYCD (0.60) L3MBTL1NAAAMLYCDHDAC3HDAC1
SCHEMBL1857658 0.85 MLYCD (0.60) L3MBTL1NAAAMLYCDHDAC3HDAC1
SCHEMBL27619619 0.85 EPHX1 (0.58) L3MBTL1NAAAMLYCDHDAC3HDAC1
SCHEMBL19022029 0.85 L3MBTL1 (0.71) L3MBTL1FOLH1NAAAMLYCDCA2
SCHEMBL18782285 0.81 L3MBTL1 (0.63) L3MBTL1FOLH1NAAAMLYCDCA2
SCHEMBL16093023 0.80 L3MBTL1 (0.67) L3MBTL1NAAAMLYCDHDAC3HDAC1
SCHEMBL6535660 0.79 L3MBTL1 (0.86) L3MBTL1FOLH1NAAAMLYCDHDAC3
SCHEMBL9265536 0.79 L3MBTL1 (0.86) L3MBTL1FOLH1NAAAMLYCDHDAC3

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