SCHEMBL2853190

SCHEMBL2853190

COc1cc(-n2nc(Oc3ccc(F)cc3F)oc2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.49
HSPB1 P04792 2/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
MGLL Q99685 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
SCHEMBL2855611 0.93 ABHD16A (0.50) ABHD16AHSPB1NPBWR1MCHR1MGLL
SCHEMBL2853363 0.89 ABHD16A (0.44) ABHD16AHSPB1ATMTDP1NPBWR1
SCHEMBL4398899 0.84 ABHD16A (0.65) ABHD16AALDH1A1LMNASIRT6TDP1
Hydrochloric Acid SCHEMBL2834123 0.83 ABHD16A (0.52) ABHD16ANPBWR1MCHR1MGLL
SCHEMBL2854275 0.83 ABHD16A (0.54) ABHD16ANPBWR1MCHR1MGLL
SCHEMBL2847268 0.81 ABHD16A (0.61) ABHD16AALDH1A1NPBWR1MCHR1MGLL
SCHEMBL7040780 0.81 ABHD16A (0.63) ABHD16AATMTDP1MGLL
SCHEMBL2858427 0.81 ABHD16A (0.64) ABHD16AHSPB1MGLL
SCHEMBL2850915 0.79 ABHD16A (0.50) ABHD16ANPBWR1MCHR1MGLL
SCHEMBL7043172 0.78 ABHD16A (0.57) ABHD16AMGLL

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