SCHEMBL7414697

SCHEMBL7414697

[CH2]C(CC(N)=O)c1c(C)cc(N)cc1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE10A Q9Y233 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7382377 0.79 SIRT3 (0.33) HTTTDP1
SCHEMBL7379834 0.74 CYP2C19 (0.37) HTTTDP1L3MBTL1
SCHEMBL7377175 0.68 HTT (0.46) HTTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL7415558 0.67 TSHR (0.40) KDM4ETDP1L3MBTL1
SCHEMBL7562318 0.67 PARP1 (0.46) TDP1L3MBTL1
SCHEMBL7379785 0.66 TNF (0.40) L3MBTL1
SCHEMBL7417041 0.66 GAA (0.37) MEN1KMT2AL3MBTL1
SCHEMBL7377241 0.65 NPC1 (0.43) HTTMEN1KMT2A
SCHEMBL7412862 0.65 KDM4E (0.42) HTTKDM4E
SCHEMBL7384414 0.64 ICAM1 (0.35)

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-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed