SCHEMBL7097965

SCHEMBL7097965

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)OCCC3CCCCN3)csc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.37
KMT2A Q03164 8/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 3/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6259138 0.83 SRC (0.48) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6473629 0.82 KMT2A (0.37) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7101392 0.82 CHRM2 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6474542 0.81 ADORA2B (0.44) MEN1KMT2AALDH1A1HPGDCYP3A4
SCHEMBL6257579 0.81 DRD2 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7017390 0.81 DRD2 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6473393 0.80 TSHR (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6470623 0.80 ADORA2B (0.42) MEN1KMT2ALMNAPOLBERCC5
SCHEMBL6471284 0.79 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6473589 0.79 CYP1A2 (0.46) MAPTALDH1A1LMNAKDM4EHPGD

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