SCHEMBL2858427

SCHEMBL2858427

O=c1oc(Oc2ccc(F)cc2F)nn1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 1/20 0.64
HSPB1 P04792 5/20 0.50
MGLL Q99685 2/20 0.43
ABHD6 Q9BV23 1/20 0.43

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
SCHEMBL2855611 0.82 ABHD16A (0.50) ABHD16AHSPB1MGLL
SCHEMBL2853190 0.81 ABHD16A (0.49) ABHD16AHSPB1MGLL
SCHEMBL2855537 0.77 ABHD16A (0.51) ABHD16AMGLL
SCHEMBL2851911 0.77 ABHD16A (0.53) ABHD16A
SCHEMBL2853363 0.77 ABHD16A (0.44) ABHD16AHSPB1MGLL
Hydrochloric Acid SCHEMBL2834123 0.75 ABHD16A (0.52) ABHD16AMGLL
SCHEMBL2847268 0.75 ABHD16A (0.61) ABHD16AMGLL
SCHEMBL2854275 0.74 ABHD16A (0.54) ABHD16AMGLL
SCHEMBL2850915 0.73 ABHD16A (0.50) ABHD16AMGLL
SCHEMBL2700152 0.72 ABHD16A (0.69) ABHD16AMGLLABHD6

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