SCHEMBL6472052

SCHEMBL6472052

CCOCCOCCOC(=O)c1csc2c1c(=O)n(Cc1ccccc1)c(=O)n2C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.43
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
ADORA2B P29275 2/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6470949 0.91 POLB (0.42) MEN1KMT2APOLBTSHRERCC5
SCHEMBL6474542 0.90 ADORA2B (0.44) MEN1KMT2APOLBTSHRERCC5
SCHEMBL6470623 0.88 ADORA2B (0.42) MEN1KMT2APOLBTSHRERCC5
SCHEMBL6473393 0.88 TSHR (0.47) MEN1KMT2APOLBTSHRERCC5
SCHEMBL6471776 0.87 TSHR (0.45) MEN1KMT2APOLBTSHRERCC5
SCHEMBL6471284 0.86 MEN1 (0.46) MEN1KMT2APOLBTSHRERCC5
SCHEMBL6471149 0.86 LMNA (0.45) MEN1KMT2APOLBTSHRERCC5
SCHEMBL6472082 0.85 ERCC5 (0.41) MEN1KMT2APOLBTSHRERCC5
SCHEMBL6476499 0.85 MEN1 (0.40) MEN1KMT2APOLBTSHRERCC5
SCHEMBL7023571 0.85 ERCC5 (0.41) MEN1KMT2APOLBTSHRERCC5

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