SCHEMBL7018700

SCHEMBL7018700

O=C(OCc1ccccc1)c1cc2c(=O)n(CCc3ccc(F)cc3)c(=O)[nH]c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HDAC1 Q13547 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
MMP13 P45452 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
ADORA2B P29275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7021004 0.88 L3MBTL1 (0.46) SMN1; SMN2HDAC1HDAC11HDAC8HDAC6
SCHEMBL7025417 0.87 ADORA2B (0.40) SMN1; SMN2HDAC1HDAC11HDAC8HDAC6
SCHEMBL6236551 0.86 ADORA2B (0.39) SMN1; SMN2HDAC1HDAC11HDAC8HDAC6
SCHEMBL16637307 0.85 HSD17B10 (0.52) SMN1; SMN2TP53MAPTADORA2BALDH1A1
SCHEMBL6258644 0.84 MMP13 (0.54) SMN1; SMN2LMNAKMT2AMEN1MMP13
SCHEMBL6235404 0.83 SMN1; SMN2 (0.52) SMN1; SMN2LMNANPSR1KMT2AHDAC1
SCHEMBL6729780 0.82 MMP13 (0.41) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL6237880 0.81 MAPT (0.39) SMN1; SMN2KMT2AHDAC1HDAC11HDAC8
SCHEMBL6473178 0.79 KDM4E (0.49) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL6237223 0.79 TSHR (0.42) SMN1; SMN2KMT2AMEN1MMP13TP53

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