SCHEMBL9866061

SCHEMBL9866061

FC(F)(F)c1ccc(-c2nc3ccncc3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
KIF11 P52732 1/20 0.49
PTPN2 P17706 4/20 0.48
PTPN1 P18031 4/20 0.48
PTPN5 P54829 4/20 0.48
HSPD1 P10809 3/20 0.48
HSPE1 P61604 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
S1PR1 P21453 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR9 Q9NR96 1/20 0.44
UTRN P46939 1/20 0.44
PIK3CB P42338 2/20 0.43

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
SCHEMBL9869122 0.88 NPC1 (0.51) NPC1KIF11PTPN2PTPN1PTPN5
SCHEMBL1026246 0.82 PIK3CB (0.50) NPC1KIF11PTPN2PTPN1PTPN5
SCHEMBL18935939 0.80 TLR9 (0.55) NPC1PTPN2PTPN1PTPN5HSPD1
SCHEMBL4157253 0.80 PTPN2 (0.68) NPC1PTPN2PTPN1PTPN5HSPD1
SCHEMBL23172360 0.80 ALDH1A1 (0.47) NPC1HDAC6HSD17B10MEN1ALDH1A1
SCHEMBL218776 0.80 NPC1 (0.63) NPC1HSD17B10MEN1ALDH1A1KMT2A
SCHEMBL9867106 0.80 NPC1 (0.52) NPC1PTPN2PTPN1PTPN5HSPD1
SCHEMBL9868967 0.79 ALDH1A1 (0.63) NPC1HSD17B10MEN1ALDH1A1KMT2A
SCHEMBL25026542 0.79 HDAC3 (0.60) NPC1PTPN2PTPN1PTPN5HSPD1
SCHEMBL1023498 0.79 PIK3CB (0.61) NPC1KIF11PTPN2PTPN1PTPN5

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-5077408-A PROCESS FOR THE SYNTHESIS OF OXAZOLOPYRIDINE COMPOUNDS SCIENCE ET ORGANISATION (FR) 1991-12-31 US disclosed