SCHEMBL7701209

SCHEMBL7701209

O=C(O)c1nc(-c2ccccc2)oc1-c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ATAD2 Q6PL18 1/20 0.51
IKBKB O14920 1/20 0.50
PKM P14618 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NR4A2 P43354 1/20 0.45
PTPN1 P18031 1/20 0.45
MAPT P10636 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL4487202 0.93 IKBKB (0.56) NPC1RAB9AIKBKBSMN1; SMN2KDM4E
SCHEMBL3128951 0.84 IKBKB (0.54) NPC1RAB9AIKBKBPKMSMN1; SMN2
SCHEMBL7695337 0.84 IKBKB (0.55) NPC1RAB9AIKBKBSMN1; SMN2KDM4E
SCHEMBL3127884 0.81 IKBKB (0.56) NPC1RAB9AIKBKBSMN1; SMN2KDM4E
SCHEMBL7699801 0.81 ALDH1A1 (0.51) NPC1RAB9AIKBKBPKMSMN1; SMN2
SCHEMBL7699490 0.81 TARBP2 (0.67) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL3124862 0.80 IKBKB (0.71) IKBKBKDM4EHSD17B10PPARGNCOA2
SCHEMBL1167163 0.79 NAPRT (0.38) NPC1RAB9AATAD2PKMMAPK13
SCHEMBL7693588 0.79 KDM4E (0.65) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6366044 0.79 NPC1 (0.55) NPC1IKBKBDHODH

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed