SCHEMBL6002184

SCHEMBL6002184

[CH](Oc1ccccc1)c1ccc2scnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESR1 P03372 3/20 0.42
DYRK1A Q13627 7/20 0.37
CLK4 Q9HAZ1 6/20 0.37
RIPK2 O43353 2/20 0.36
KDR P35968 2/20 0.36
EGFR P00533 1/20 0.36
TGFBR1 P36897 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
IKBKB O14920 1/20 0.36
CLK1 P49759 4/20 0.34
CLK2 P49760 3/20 0.34
DYRK2 Q92630 4/20 0.34
DYRK1B Q9Y463 4/20 0.34
PIK3CD O00329 2/20 0.34
DYRK3 O43781 2/20 0.34
CLK3 P49761 2/20 0.34
GSK3B P49841 2/20 0.34
DYRK4 Q9NR20 2/20 0.34

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
SCHEMBL6003292 0.88 DYRK1B (0.45) ALDH1A1HSD17B10ESR1DYRK1ACLK4
SCHEMBL8039455 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10ESR1RIPK2KDR
SCHEMBL8039453 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10ESR1RIPK2KDR
SCHEMBL4640548 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10RIPK2KDREGFR
SCHEMBL31609687 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10RIPK2KDREGFR
SCHEMBL7218395 0.72 ALDH1A1 (0.45) ALDH1A1HSD17B10ESR1DYRK1ACLK4
SCHEMBL27362369 0.72 ALDH1A1 (0.45) ALDH1A1HSD17B10ESR1DYRK1ACLK4
SCHEMBL1419323 0.72 CYP2A6 (0.47) ALDH1A1HSD17B10ESR1DYRK1ACLK4
SCHEMBL18911978 0.72 ALDH1A1 (0.45) ALDH1A1HSD17B10ESR1DYRK1ACLK4
SCHEMBL6002187 0.71 ALDH1A1 (0.46) ALDH1A1HSD17B10NPC1RAB9AMAPT

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