SCHEMBL8613865

SCHEMBL8613865

CCOC(=O)Cc1csc(-c2nccs2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
ESR2 Q92731 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 3/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13174880 0.78 RAB9A (0.64) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL3374076 0.77 MEN1 (0.57) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL6311629 0.77 MAPT (0.66) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1107420 0.76 MEN1 (0.68) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL31578900 0.76 GAA (0.55) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL8847597 0.76 EGLN1 (0.58) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL15888379 0.76 ADORA2A (0.46) SMN1; SMN2GAAPOLBNPC1MAPT
SCHEMBL1525238 0.75 MEN1 (0.66) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL11012092 0.75 MEN1 (0.66) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL8847537 0.75 MEN1 (0.54) MEN1KMT2ASMN1; SMN2GAAALDH1A1

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-0873304-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-10-28 EP disclosed
WO-1997019053-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 WO disclosed