SCHEMBL4038095

SCHEMBL4038095

O=C(O)C(CCn1nnc2ccccc2c1=O)[C@H](O)CCc1ccc(-c2ccc(Cl)c(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.49
MMP3 P08254 6/20 0.49
MMP9 P14780 6/20 0.49
MMP13 P45452 6/20 0.49
MMP1 P03956 3/20 0.49
GPR139 Q6DWJ6 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1845968 1.00 MMP2 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL4039540 1.00 MMP2 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL4039543 1.00 MMP2 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL379315 0.92 MMP2 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL4210499 0.92 MMP2 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1841931 0.92 MMP2 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1843118 0.90 GPR139 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL4042365 0.90 GPR139 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL379164 0.89 MMP2 (0.60) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1841843 0.89 MMP2 (0.60) MMP2MMP3MMP9MMP13MMP1

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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed