SCHEMBL878249

SCHEMBL878249

Cc1ccc(-c2ccc(SC(CCn3nnc4c(C)cccc4c3=O)C(=O)O)c(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 13/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP13 P45452 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL877146 0.89 GPR139 (0.51) GPR139SMN1; SMN2RAB9AMMP2MMP9
SCHEMBL15735056 0.86 GPR139 (0.42) GPR139MMP2MMP9MAPTKDM4E
SCHEMBL878368 0.84 GPR139 (0.41) GPR139MMP2MMP9MAPTMMP1
SCHEMBL12472898 0.84 GPR139 (0.49) GPR139SMN1; SMN2MMP2MMP9MAPT
SCHEMBL877912 0.82 GPR139 (0.41) GPR139MMP2MMP9MAPTMMP1
SCHEMBL15733344 0.82 GPR139 (0.41) GPR139MMP2MMP9MAPTMMP1
SCHEMBL15735335 0.82 GPR139 (0.43) GPR139MMP2MMP9KDM4EHPGD
SCHEMBL877341 0.82 MMP2 (0.47) GPR139MMP2MMP9MMP1MMP3
SCHEMBL877238 0.81 MMP2 (0.48) GPR139MMP2MMP9MAPTMMP1
SCHEMBL877908 0.81 GPR139 (0.43) GPR139NPC1MMP2MMP9MAPT

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-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed