SCHEMBL13616805

SCHEMBL13616805

Nc1ncsc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ADORA2A P29274 2/20 0.40
MAP4K4 O95819 1/20 0.40
DPP4 P27487 1/20 0.38
TGFBR1 P36897 1/20 0.38
MAPK14 Q16539 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
ADORA1 P30542 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BACE1 P56817 1/20 0.35
USP7 Q93009 1/20 0.34
ATR Q13535 1/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL13616971 0.86 MPL (0.38) MPLALDH1A1KDM4EADORA2AMAP4K4
SCHEMBL2092932 0.78 MPL (0.40) MPLALDH1A1KDM4EADORA2AMAPK14
SCHEMBL13616946 0.78 ADORA2A (0.40) ALDH1A1KDM4EADORA2ADPP4MAPK14
SCHEMBL13617343 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMAP4K4DPP4NPC1
SCHEMBL2092935 0.78 MPL (0.40) MPLALDH1A1KDM4EMAPK14NPC1
SCHEMBL13616873 0.77 CLK1 (0.37) ALDH1A1KDM4EMAP4K4DPP4
SCHEMBL13617070 0.76 GRM2 (0.37) MPLKDM4EALOX5APFEN1BACE1
SCHEMBL13616783 0.72 KDM4E (0.53) ALDH1A1KDM4EADORA2AMAP4K4MAPK14
SCHEMBL15692562 0.69 KDM4E (0.50) ALDH1A1KDM4ETGFBR1NPC1MAPK1
SCHEMBL983271 0.68 KDM4E (0.42) ALDH1A1KDM4ENPC1HSD17B10

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-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed