SCHEMBL19159779

SCHEMBL19159779

NN(C=O)c1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.43
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ADORA1 P30542 9/20 0.40
ADORA3 P0DMS8 4/20 0.40
ADORA2B P29275 4/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PTPN7 P35236 2/20 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
SCHEMBL19160255 0.88 ADORA2A (0.48) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL1677411 0.82 ADORA2A (0.48) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL846080 0.82 ALDH1A1 (0.49) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL879421 0.80 L3MBTL1 (0.47) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL1254395 0.79 ADORA2A (0.43) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL17244105 0.78 ADORA2A (0.43) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL1255696 0.78 ADORA2A (0.45) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL1255819 0.78 ADORA2A (0.60) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL1255923 0.77 L3MBTL1 (0.54) ADORA2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL1255858 0.77 KDM4E (0.62) ADORA2APOLBKDM4EALDH1A1L3MBTL1

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
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed