SCHEMBL8709556

SCHEMBL8709556

COc1ccc(CC(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc3nsnc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
USP30 Q70CQ3 2/20 0.40
GAA P10253 1/20 0.40
EGFR P00533 5/20 0.39
POLB P06746 1/20 0.39
ERBB2 P04626 4/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ADRB2 P07550 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM4A O75164 1/20 0.38
PPARA Q07869 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8705645 0.93 MEN1 (0.41) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL8712259 0.91 BMP1 (0.43) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL8709132 0.91 EPHX2 (0.41) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL8711019 0.91 MAPT (0.43) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL8709789 0.91 MEN1 (0.39) MEN1KMT2ASMN1; SMN2MAPTEPHX2
SCHEMBL8705052 0.90 MEN1 (0.45) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL8705303 0.90 MAPT (0.40) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL8709894 0.89 FLT1 (0.44) MEN1KMT2ASMN1; SMN2MAPTEGFR
SCHEMBL8705691 0.89 MAPT (0.50) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL8710102 0.88 EPHX2 (0.42) MEN1KMT2ASMN1; SMN2MAPTEPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998041515-A1 ENDOTHOLIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-24 WO disclosed