SCHEMBL22279796

SCHEMBL22279796

Cc1ccc(C#Cc2ccc(S(=O)(=O)NCC(=O)NC[C@H](C)c3ccccc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.56
MMP9 P14780 16/20 0.56
MMP3 P08254 5/20 0.52
MMP1 P03956 3/20 0.52
MMP8 P22894 3/20 0.52
MMP14 P50281 3/20 0.52
MMP25 Q9NPA2 3/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP13 P45452 2/20 0.44
MAPT P10636 1/20 0.39

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
SCHEMBL13272367 0.81 MMP9 (0.63) MMP2MMP9MMP3MMP1MMP8
SCHEMBL22279651 0.74 MMP9 (0.79) MMP2MMP9MMP3MMP1MMP8
SCHEMBL22266001 0.74 MMP9 (0.79) MMP2MMP9MMP3MMP1MMP8
SCHEMBL13272163 0.70 MMP9 (0.54) MMP2MMP9MMP3MMP1MMP8
SCHEMBL14823005 0.69 MMP9 (0.65) MMP2MMP9MMP3MMP1MMP8
SCHEMBL5821059 0.68 MMP9 (0.47) MMP2MMP9MMP3MMP1MMP8
SCHEMBL3691573 0.67 MMP9 (0.61) MMP2MMP9MMP3MMP1MMP8
SCHEMBL13409998 0.67 MMP9 (0.61) MMP2MMP9MMP3MMP1MMP8
SCHEMBL3641034 0.66 FFAR1 (0.56) MAPT
SCHEMBL3641032 0.66 FFAR1 (0.56) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020154243-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF DEGENERATIVE DISORDERS AQUILUS PHARMACEUTICALS, INC. (US) 2020-07-30 WO disclosed