SCHEMBL6470730

SCHEMBL6470730

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)OCc3ccc(F)cc3)csc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TRPA1 O75762 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 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 0.94 MEN1 (0.46) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL6258578 0.91 ALDH1A1 (0.44) TP53L3MBTL1MEN1KMT2ATRPA1
SCHEMBL6472338 0.90 MEN1 (0.41) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL6476368 0.90 MEN1 (0.44) TP53MEN1KMT2AGAAPOLB
SCHEMBL6258893 0.90 MEN1 (0.42) TP53L3MBTL1MEN1KMT2AGAA
SCHEMBL7105782 0.89 MEN1 (0.41) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL6473171 0.89 MEN1 (0.41) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL6474195 0.88 POLB (0.41) TP53MEN1KMT2AMAPTPOLB
SCHEMBL6473338 0.87 RAB9A (0.46) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL6260852 0.87 NPSR1 (0.43) TP53MEN1KMT2AGAAMAPT

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-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