SCHEMBL8709156

SCHEMBL8709156

CC(C)(C)c1ccc(S(=O)(=O)NC(=O)C(Cc2ccc(C#N)cc2)c2ccc3nsnc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36
LSS P48449 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ACACB O00763 3/20 0.35
CYP19A1 P11511 1/20 0.35
CACNA1H O95180 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EEF2K O00418 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL8712035 0.91 EDNRA (0.39) LSSITGB3ITGAVACACBCYP19A1
SCHEMBL8709132 0.90 EPHX2 (0.41) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8705303 0.89 MAPT (0.40) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8709894 0.88 FLT1 (0.44) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8705691 0.88 MAPT (0.50) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8710102 0.88 EPHX2 (0.42) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8709556 0.87 MEN1 (0.43) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8705052 0.86 MEN1 (0.45) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8709789 0.84 MEN1 (0.39) EPHX2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8709625 0.84 NLRP3 (0.43) EPHX2ALDH1A1MAPTMEN1KMT2A

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