SCHEMBL6002187

SCHEMBL6002187

c1ccc(OCc2ccc3scnc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APP P05067 1/20 0.45
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 2/20 0.41
F10 P00742 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
FFAR1 O14842 2/20 0.40
CYP3A4 P08684 1/20 0.40
BCHE P06276 1/20 0.39
MAPT P10636 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6003293 0.89 SLC6A4 (0.47) ALDH1A1HSD17B10APPNPC1MAPK1
SCHEMBL6761642 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL22663 0.78 CYP3A4 (0.59) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL27413023 0.77 APP (0.44) APPNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL29751999 0.76 STAT3 (0.44) ALDH1A1HSD17B10MAPK1SMN1; SMN2L3MBTL1
SCHEMBL4640548 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL31609687 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL27629611 0.75 ALDH1A1 (0.38) ALDH1A1HSD17B10NPC1MAPK1RAB9A
SCHEMBL29976332 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10NPC1MAPK1RAB9A
SCHEMBL9676880 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10NPC1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed