SCHEMBL8705303

SCHEMBL8705303

Cc1ccc(CC(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc3nsnc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
GAA P10253 2/20 0.38
HSD17B2 P37059 2/20 0.38
LMNA P02545 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PPARA Q07869 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL8709132 0.93 EPHX2 (0.41) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL8709894 0.92 FLT1 (0.44) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL8705691 0.91 MAPT (0.50) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL8710102 0.91 EPHX2 (0.42) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL8710009 0.90 GAA (0.41) MAPTALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL8709556 0.90 MEN1 (0.43) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL8705052 0.89 MEN1 (0.45) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL8709156 0.89 EPHX2 (0.39) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL8709789 0.88 MEN1 (0.39) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL8709625 0.87 NLRP3 (0.43) MAPTALDH1A1EPHX2MEN1KMT2A

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