SCHEMBL7417348

SCHEMBL7417348

[CH2]C(CC(N)=O)c1cc(Br)cc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11078097 0.80 ALDH1A1 (0.37) EPHX1L3MBTL1SMN1; SMN2CYP2C19MEN1
SCHEMBL7380886 0.77 TPMT (0.34) EPHX1CYP2C19
SCHEMBL7379834 0.77 CYP2C19 (0.37) EPHX1L3MBTL1CYP2C19
SCHEMBL7377175 0.74 HTT (0.46) L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL7386503 0.73 CES2 (0.41) EPHX1
SCHEMBL16962078 0.73
SCHEMBL16960988 0.72 PARP1 (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL7385340 0.69 KDM4E (0.39) L3MBTL1SMN1; SMN2CYP2C19KMT2A
SCHEMBL7562318 0.69 PARP1 (0.46) L3MBTL1CYP2C19
SCHEMBL16955142 0.69

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