SCHEMBL2853363

SCHEMBL2853363

COCCOc1cc(-n2nc(Oc3ccc(F)cc3F)oc2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.44
HSPB1 P04792 4/20 0.41
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
MGLL Q99685 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2853190 0.89 ABHD16A (0.49) ABHD16AHSPB1NPBWR1MCHR1MGLL
SCHEMBL2855611 0.84 ABHD16A (0.50) ABHD16AHSPB1NPBWR1MCHR1MGLL
SCHEMBL7043172 0.79 ABHD16A (0.57) ABHD16AMGLL
SCHEMBL7040780 0.77 ABHD16A (0.63) ABHD16AMGLLATMTDP1
SCHEMBL2858427 0.77 ABHD16A (0.64) ABHD16AHSPB1MGLL
SCHEMBL4398899 0.75 ABHD16A (0.65) ABHD16AMGLLTDP1
SCHEMBL2847268 0.75 ABHD16A (0.61) ABHD16ANPBWR1MCHR1MGLL
Hydrochloric Acid SCHEMBL2834123 0.75 ABHD16A (0.52) ABHD16ANPBWR1MCHR1MGLL
SCHEMBL2854275 0.74 ABHD16A (0.54) ABHD16ANPBWR1MCHR1MGLL
SCHEMBL2833379 0.74 NPC1 (0.54) ATMTDP1

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