SCHEMBL17090559

SCHEMBL17090559

CC(C)S(=O)(=O)Nc1ccc(CNc2ccc(N3C[C@H](C)C[C@@H](C)C3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.44
MAPT P10636 8/20 0.44
ALOX12 P18054 8/20 0.44
ALOX15 P16050 7/20 0.44
KDM4E B2RXH2 7/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
MAPK1 P28482 5/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GFER P55789 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL13565598 1.00 GAA (0.44) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL17090558 1.00 GAA (0.44) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL13565654 1.00 GAA (0.44) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL17090289 0.87 MAPT (0.46) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL11941262 0.87 MAPT (0.46) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL11935309 0.87 MAPT (0.46) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL13565715 0.84 GAA (0.48) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL13462876 0.84 GAA (0.41) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL17090223 0.84 GAA (0.41) GAAMAPTALOX12ALOX15KDM4E
SCHEMBL11935894 0.84 GAA (0.41) GAAMAPTALOX12ALOX15KDM4E

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed