SCHEMBL6476368

SCHEMBL6476368

COc1ccc(COC(=O)c2csc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
RGS4 P49798 1/20 0.41
RGS8 P57771 1/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 3/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL6471284 0.93 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6258893 0.93 MEN1 (0.42) MEN1KMT2ATP53GAASMN1; SMN2
SCHEMBL6253632 0.92 MEN1 (0.43) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL6257046 0.91 THRB (0.47) MEN1KMT2AMMP1MMP9TP53
SCHEMBL6258578 0.90 ALDH1A1 (0.44) MEN1KMT2ATP53ALDH1A1POLB
SCHEMBL6470730 0.90 TP53 (0.48) MEN1KMT2ATP53ALDH1A1GAA
SCHEMBL6465348 0.89 CHRM5 (0.45) MEN1KMT2ARGS4RGS8TP53
SCHEMBL6473171 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL7105782 0.88 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL6472338 0.87 MEN1 (0.41) MEN1KMT2AMMP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed