SCHEMBL11049565

SCHEMBL11049565

CC(=O)Nc1csc([C]=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA3 P0DMS8 5/20 0.39
ADORA2A P29274 3/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 3/20 0.38
MAPT P10636 1/20 0.38
ABL1 P00519 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
PTK2 Q05397 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
ADORA1 P30542 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
SCHEMBL11358850 0.77 L3MBTL1 (0.48) L3MBTL1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL2642653 0.77 GRM5 (0.44) L3MBTL1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL11350463 0.77 L3MBTL1 (0.62) L3MBTL1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL11474686 0.76 SMN1; SMN2 (0.45) L3MBTL1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL2642974 0.76 L3MBTL1 (0.43) L3MBTL1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL2642608 0.76 L3MBTL1 (0.43) L3MBTL1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL2642976 0.76 L3MBTL1 (0.43) L3MBTL1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL2642609 0.76 PIK3CG (0.53) L3MBTL1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL2642652 0.76 L3MBTL1 (0.43) L3MBTL1KMT2ASMN1; SMN2ADORA3ADORA2A
SCHEMBL5609133 0.73 KDM1A (0.46) L3MBTL1ADORA2AKDM4EHSD17B10MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed