SCHEMBL8711019

SCHEMBL8711019

COc1cccc(CC(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc3nsnc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
CTSL P07711 1/20 0.40
NLRP3 Q96P20 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
MAPK1 P28482 1/20 0.38
STAT1 P42224 1/20 0.38
PDE4B Q07343 1/20 0.38
NAMPT P43490 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 0.92 MEN1 (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8706028 0.92 MAPT (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8706016 0.91 NPC1 (0.44) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8709884 0.91 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8709556 0.91 MEN1 (0.43) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8709452 0.89 SMN1; SMN2 (0.43) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8705691 0.89 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL8709132 0.88 EPHX2 (0.41) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL8712501 0.87 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8709538 0.87 NR1H4 (0.42) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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