SCHEMBL8709452

SCHEMBL8709452

COC(=O)c1cccc(CC(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc3nsnc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F10 P00742 2/20 0.38
PLG P00747 1/20 0.38
NAMPT P43490 1/20 0.38
SLC7A5 Q01650 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
FOLH1 Q04609 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
IKBKB O14920 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
EPHX2 P34913 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
GCGR P47871 1/20 0.35

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
SCHEMBL8709538 0.92 NR1H4 (0.42) SMN1; SMN2MEN1KMT2AF10PLG
SCHEMBL8707231 0.92 SLC7A5 (0.39) SMN1; SMN2F10NAMPTSLC7A5MAPT
SCHEMBL8712032 0.91 SLC7A5 (0.43) SMN1; SMN2MEN1KMT2ANAMPTSLC7A5
SCHEMBL8705052 0.91 MEN1 (0.45) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL8711019 0.89 MAPT (0.43) SMN1; SMN2MEN1KMT2ANAMPTMAPT
SCHEMBL8705691 0.88 MAPT (0.50) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL8709132 0.88 EPHX2 (0.41) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL8709884 0.87 MAPT (0.41) SMN1; SMN2MEN1KMT2ANAMPTMAPT
SCHEMBL8712501 0.87 MAPT (0.39) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL8706028 0.86 MAPT (0.41) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

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