SCHEMBL2853749

SCHEMBL2853749

O=c1oc(OCc2ccccc2)nn1-c1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.68
LIPC P11150 1/20 0.68
ACHE P22303 1/20 0.68
LIPE Q05469 1/20 0.68
MGLL Q99685 6/20 0.56
MAOB P27338 1/20 0.46
FAAH O00519 4/20 0.45
ABHD16A O95870 1/20 0.43
MAPK14 Q16539 1/20 0.43
ELANE P08246 1/20 0.40

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
SCHEMBL6552559 0.81 BCHE (1.00) BCHELIPCACHELIPEMGLL
SCHEMBL7044238 0.80 BCHE (0.81) BCHELIPCACHELIPEMGLL
SCHEMBL2702372 0.77 BCHE (0.78) BCHELIPCACHELIPEMGLL
SCHEMBL3458662 0.74 BCHE (0.54) BCHELIPCACHELIPEMGLL
SCHEMBL7044271 0.74 BCHE (0.56) BCHELIPCACHELIPEMGLL
SCHEMBL2233786 0.72 MGLL (0.76) BCHELIPCACHELIPEMGLL
SCHEMBL6552675 0.72 MGLL (1.00) BCHELIPCACHELIPEMGLL
SCHEMBL3459053 0.71 BCHE (0.50) BCHELIPCACHELIPEMGLL
SCHEMBL3458193 0.71 BCHE (0.50) BCHELIPCACHELIPEMGLL
SCHEMBL2701849 0.69 BCHE (0.62) BCHELIPCACHELIPEMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238131-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - Portela & Ca., S.A. (PT) 2010-10-13 EP disclosed
WO-2009084970-A1 5-O-SUBSTITUTED 3-N-PHENYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL-PORTELA & COMPANHIA, S.A. (PT) 2009-07-09 WO disclosed