SCHEMBL7355960

SCHEMBL7355960

NC(=O)CC(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AGTR1 P30556 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MMEL1 Q495T6 2/20 0.32
HPGDS O60760 1/20 0.31
TPH1 P17752 1/20 0.31
BRS3 P32247 1/20 0.31
CPA1 P15085 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CPA3 P15088 1/20 0.31
MME P08473 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
SCHEMBL9254418 0.79 PPARG (0.35) AGTR1PPARGPPARABRS3
SCHEMBL19222672 0.76 S1PR1 (0.39) POLBMEN1KMT2A
SCHEMBL840461 0.76 AGTR1 (0.42) AGTR1
SCHEMBL1773521 0.76 FYN (0.39) AGTR1
SCHEMBL7350035 0.75 MME (0.50) MMP9ALDH1A1POLBL3MBTL1PPARG
SCHEMBL7352933 0.75 MME (0.50) MMP2MMP9MEN1KMT2AMME
SCHEMBL4436864 0.75 MKNK1 (0.47) ALDH1A1POLBL3MBTL1
SCHEMBL1132111 0.75 TAAR1 (0.43) ALDH1A1
SCHEMBL7354600 0.74 SRR (0.51) PPARGPPARAMMEL1CPA1MME
SCHEMBL27513806 0.74 SRR (0.51) PPARGPPARAMMEL1CPA1MME

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-1005448-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS Du Pont Pharmaceuticals Company (US) 2000-06-07 EP disclosed
WO-1999009000-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO disclosed