SCHEMBL14880717

SCHEMBL14880717

O=[N+]([O-])c1cccc(-c2cc[c]cc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 4/20 0.43
PTPRC P08575 1/20 0.43
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PGR P06401 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.41
PELI1 Q96FA3 1/20 0.41
TDP2 O95551 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ACHE P22303 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL27995417 0.84 FBP1 (0.41) MAPTALDH1A1NPSR1TDP1MEN1
SCHEMBL4649697 0.84 TDP1 (0.40) LMNAMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL11564194 0.84 ALDH1A1 (0.47) TSHRLMNAMAPTPTPRCALDH1A1
SCHEMBL3540428 0.82 ALDH1A1 (0.61) TSHRLMNAALDH1A1RAB9ATDP1
SCHEMBL8802211 0.80 AKR1C3 (0.54) TSHRLMNAMAPTALDH1A1RAB9A
SCHEMBL12472637 0.80 NPC1 (0.50) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL8051514 0.79 ALDH1A1 (0.67) TSHRLMNAMAPTPTPRCALDH1A1
SCHEMBL6806454 0.79 TDP1 (0.46) TSHRMAPTALDH1A1TDP1ACHE
SCHEMBL6800906 0.78 TDP1 (0.38) TSHRMAPTALDH1A1TDP1ACHE
SCHEMBL3299033 0.78 TSHR (0.53) TSHRLMNAMAPTALDH1A1NPC1

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