SCHEMBL906599

SCHEMBL906599

CC(=O)c1c(Br)nsc1NC(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GAK O14976 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
ADORA2B P29275 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
FLT3 P36888 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
AHR P35869 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
BRD4 O60885 1/20 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
SCHEMBL906788 0.80 HPGD (0.41) NAMPTGAKALDH1A1HPGDMAPK10
SCHEMBL21604053 0.66 KDM4E (0.76) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9082354 0.64 ALDH1A1 (0.47) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL1837920 0.64 GRM1 (0.56) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL906710 0.63 KDR (0.33) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL14680529 0.61 ALDH1A1 (0.63) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3580813 0.61 NPC1 (0.60) MAPTHSD17B10ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL24426878 0.61 KDM4E (0.64) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19439102 0.60 HPGD (0.57) NAMPTHPGDADORA2BL3MBTL1AHR
SCHEMBL11355652 0.60 HPGD (0.53) KDM4EHPGDADORA2BL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276759-B1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES LILLY CO ELI (US) 2011-10-19 EP disclosed
US-7932274-B2 3-indazolyl-4-pyridylisothiazoles ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
EP-2276759-A1 3-INDAZOLYL-4-PYRIDYLISOTHIAZOLES Eli Lilly & Company (US) 2011-01-26 EP disclosed