SCHEMBL7169149

SCHEMBL7169149

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)O)csc21.NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
DPP4 P27487 4/20 0.40
NOTUM Q6P988 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6255377 0.92 MEN1 (0.52) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL7017390 0.82 DRD2 (0.42) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6257579 0.80 DRD2 (0.41) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6472546 0.80 SCN1A (0.51) MEN1KMT2AERCC5FEN1LMNA
SCHEMBL6471284 0.80 MEN1 (0.46) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6476984 0.79 HTR3E (0.41) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL7101392 0.79 CHRM2 (0.41) MEN1KMT2ASMN1; SMN2ERCC5FEN1
SCHEMBL6474542 0.78 ADORA2B (0.44) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6476633 0.77 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2PKMRAB9A
SCHEMBL6472164 0.77 ERCC5 (0.43) MEN1KMT2ASMN1; SMN2PKMRAB9A

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-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