SCHEMBL3719425

SCHEMBL3719425

COC(=O)c1cc(-c2cccc(N3CCOCC3)c2)n(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ BRAF P15056 1/20 0.44
▸ PHGDH O43175 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PTGS2 P35354 4/20 0.44
▸ SLC5A1 P13866 2/20 0.44
▸ PTGS1 P23219 1/20 0.43

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
SCHEMBL15576812 0.89 NPY5R (0.46) MEN1KMT2ABRAFPTGS2SLC5A1
SCHEMBL1075033 0.88 MMP2 (0.47) LMNABRAFPTGS2SLC5A1PTGS1
SCHEMBL15474346 0.80 HDAC1 (0.43) LMNAMAPTMGLLPTGS2SLC5A1
SCHEMBL15472788 0.80 MALT1 (0.46) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12418162 0.79 PTGS2 (0.66) MAPTMEN1KMT2ASMN1; SMN2MGLL
SCHEMBL2192750 0.76 PTGS2 (0.64) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL976450 0.74 CNR1 (0.54) MEN1KMT2AFAAHMGLLPTGS2
SCHEMBL5739149 0.73 ALDH1A1 (0.66) LMNAMAPTMEN1KMT2AGAA
SCHEMBL2192072 0.72 FAAH (0.57) MAPTTP53MEN1KMT2AFAAH
SCHEMBL1764964 0.72 FAAH (0.53) LMNAMAPTTP53MEN1KMT2A

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
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 — — EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 — — WO disclosed
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