SCHEMBL17090283

SCHEMBL17090283

Cc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1NS(=O)(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GAA P10253 5/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
BRD4 O60885 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 3/20 0.36
ALOX12 P18054 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 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
SCHEMBL13565349 1.00 MAPT (0.40) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL13105770 0.87 MAPT (0.44) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL13564992 0.87 MAPT (0.44) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL17090480 0.87 MAPT (0.44) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL17090550 0.87 MAPT (0.44) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL13565668 0.86 L3MBTL1 (0.38) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL13565111 0.86 MAPT (0.40) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL17090261 0.86 MAPT (0.40) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL17090555 0.83 L3MBTL1 (0.38) MAPTGAAL3MBTL1RAB9ANPC1
SCHEMBL13566083 0.83 L3MBTL1 (0.38) MAPTGAAL3MBTL1RAB9ANPC1

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