SCHEMBL3458662

SCHEMBL3458662

O=c1oc(OCc2ccccc2)nn1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.54
LIPC P11150 1/20 0.54
ACHE P22303 1/20 0.54
LIPE Q05469 1/20 0.54
MGLL Q99685 4/20 0.44
FAAH O00519 3/20 0.44
ELANE P08246 1/20 0.44
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 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
SCHEMBL3458193 0.80 BCHE (0.50) BCHELIPCACHELIPEMGLL
SCHEMBL14446902 0.75 SMN1; SMN2 (0.50) MAPTRAB9AKDM4EALDH1A1HPGD
SCHEMBL3459053 0.74 BCHE (0.50) BCHELIPCACHELIPEMGLL
SCHEMBL2853749 0.74 BCHE (0.68) BCHELIPCACHELIPEMGLL
SCHEMBL3458691 0.73 BCHE (0.48) BCHELIPCACHELIPEMGLL
SCHEMBL7044271 0.73 BCHE (0.56) BCHELIPCACHELIPEMGLL
SCHEMBL15778047 0.73 KDM5A (0.64) HTTNPC1MAPTRAB9AKDM5A
SCHEMBL25407433 0.69 ALDH1A1 (0.43) HTTNPC1MAPTRAB9AKDM5A
SCHEMBL7044238 0.69 BCHE (0.81) BCHELIPCACHELIPEMGLL
SCHEMBL2233786 0.67 MGLL (0.76) 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
WO-2010151160-A1 O-SUBSTITUTED 3-N-HETEROARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-12-29 WO claimed
WO-2010151160-A1 O-SUBSTITUTED 3-N-HETEROARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-12-29 WO disclosed