SCHEMBL6476499

SCHEMBL6476499

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)OCCc3ccccc3O)csc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
ADORA2B P29275 2/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL6474542 0.90 ADORA2B (0.44) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6470623 0.87 ADORA2B (0.42) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6471149 0.86 LMNA (0.45) MEN1KMT2AERCC5FEN1POLB
SCHEMBL6470949 0.86 POLB (0.42) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6472052 0.85 MEN1 (0.44) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6473393 0.85 TSHR (0.47) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6471284 0.84 MEN1 (0.46) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6471776 0.84 TSHR (0.45) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6472082 0.84 ERCC5 (0.41) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL7099112 0.84 TRPA1 (0.43) MEN1KMT2AERCC5FEN1POLB

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