SCHEMBL8306539

SCHEMBL8306539

Cc1cc2c(s1)CC(=O)N(C)C2=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
PNMT P11086 1/20 0.33
HSD17B2 P37059 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APP P05067 1/20 0.30
TRIM24 O15164 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
SCHEMBL25795143 0.71 MEN1 (0.42) MEN1KMT2ATSHRCYP2C19RAB9A
SCHEMBL1822840 0.71 PNMT (0.39) MEN1KMT2ATSHRCYP2C19RAB9A
SCHEMBL16870185 0.70 CES1 (0.34) MEN1KMT2ATSHRCYP2C19ALDH1A1
SCHEMBL20304585 0.66 MEN1 (0.39) MEN1KMT2ATSHRCYP2C19RAB9A
SCHEMBL3919487 0.66 MEN1 (0.32) MEN1KMT2ATSHRCYP2C19RAB9A
SCHEMBL13600312 0.66 MEN1 (0.30) MEN1KMT2APNMTALDH1A1MAPT
SCHEMBL2915061 0.65 PNMT (0.34) MEN1KMT2ATSHRCYP2C19RAB9A
SCHEMBL8342683 0.64 PTK2 (0.33) TRIM24
SCHEMBL27398202 0.64 MEN1 (0.51) MEN1KMT2ATSHRCYP2C19RAB9A
SCHEMBL9918979 0.64 METAP1 (0.50) MEN1KMT2ARAB9AALDH1A1MAPT

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
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed