SCHEMBL14880657

SCHEMBL14880657

O=[N+]([O-])c1ccc([CH]c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.60
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
POLB P06746 1/20 0.55
APP P05067 1/20 0.53
FBP1 P09467 4/20 0.52
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 2/20 0.48
HTT P42858 2/20 0.48
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL439935 0.89 APP (0.64) APPFBP1MAPTALDH1A1NPC1
SCHEMBL3365228 0.88 MAOA (0.68) HSPB1MAOAMAOBPOLBAPP
SCHEMBL3365225 0.88 MAOA (0.68) HSPB1MAOAMAOBPOLBAPP
SCHEMBL536 0.87 HSPB1 (0.75) HSPB1MAOAMAOBPOLBMAPT
SCHEMBL7026994 0.87 HSPB1 (0.75) HSPB1MAOAMAOBPOLBMAPT
Fluoride SCHEMBL4551986 0.84 HSPB1 (0.72) HSPB1MAOAMAOBPOLBMAPT
Water SCHEMBL28147677 0.84 HSPB1 (0.72) HSPB1MAOAMAOBPOLBMAPT
Fluoride SCHEMBL4551988 0.84 HSPB1 (0.72) HSPB1MAOAMAOBPOLBMAPT
SCHEMBL28001935 0.84 HSPB1 (0.72) HSPB1MAOAMAOBPOLBMAPT
Formaldehyde SCHEMBL28237406 0.82 HSPB1 (0.69) HSPB1MAOAMAOBPOLBMAPT

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-2780326-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY Vivolux Ab (SE) 2014-09-24 EP disclosed
WO-2013058691-A1 METHOD FOR INHIBITION OF DEUBIQUITINATING ACTIVITY VIVOLUX AB (SE) 2013-04-25 WO disclosed