SCHEMBL7024932

SCHEMBL7024932

O=C(OCc1c(F)cccc1F)c1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP9 P14780 2/20 0.48
MMP12 P39900 2/20 0.48
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
P2RX7 Q99572 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 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
SCHEMBL6236586 0.78 TDP1 (0.54) KMT2ATDP1ALDH1A1L3MBTL1P2RX7
SCHEMBL31722590 0.77 P2RX7 (0.51) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL7023431 0.74 P2RX7 (0.43) GAAKMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL27846622 0.73 P2RX7 (0.51) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL29508230 0.73 CYP1A2 (0.53) KMT2AMEN1ALDH1A1P2RX7HSD17B10
SCHEMBL917137 0.73 CYP1A2 (0.53) KMT2AMEN1ALDH1A1P2RX7HSD17B10
SCHEMBL27798556 0.73 P2RX7 (0.56) ALDH1A1L3MBTL1P2RX7NPSR1
SCHEMBL15544859 0.72 ALDH1A1 (0.70) GAAKMT2AMEN1TDP1MMP1
Hydrochloric Acid SCHEMBL27922723 0.72 CYP1A2 (0.51) KMT2AMEN1ALDH1A1P2RX7HSD17B10
SCHEMBL7103527 0.71 P2RX7 (0.43) GAAALDH1A1P2RX7NPSR1KDM4E

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 claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed