SCHEMBL5048947

SCHEMBL5048947

CCCCCCCCc1noc(CCc2ccc(CC([NH])c3ccc(C(F)(F)F)cc3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
CDK2 P24941 1/20 0.34
AKT1 P31749 1/20 0.34
FFAR2 O15552 1/20 0.33
OPRL1 P41146 1/20 0.33
SRC P12931 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5049034 0.86 PPARG (0.44) SPHK1
SCHEMBL5044913 0.82 HTR2A (0.43) HDAC1HDAC8
SCHEMBL1853070 0.82 HDAC1 (0.43) HDAC1HDAC2HDAC8SIRT2SPHK1
SCHEMBL1855651 0.82 HDAC1 (0.43) HDAC1HDAC2HDAC8SIRT2SPHK1
SCHEMBL5044951 0.82 SPHK1 (0.41) HDAC1HDAC2HDAC8SIRT2KMT2A
SCHEMBL1850427 0.81 HDAC1 (0.37) HDAC1HDAC2HDAC8SIRT2KMT2A
SCHEMBL1850428 0.81 L3MBTL1 (0.54) HDAC1HDAC2HDAC8SIRT2KMT2A
SCHEMBL1855887 0.76 L3MBTL1 (0.36) HDAC1HDAC2HDAC8KMT2AL3MBTL1
SCHEMBL1855520 0.76 PLK1 (0.40) HDAC1HDAC2HDAC8KMT2AL3MBTL1
SCHEMBL1854119 0.76 PLK1 (0.40) HDAC1HDAC2HDAC8KMT2AL3MBTL1

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed