SCHEMBL16201565

SCHEMBL16201565

O=[N+]([O-])c1c(Br)cccc1-c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
HSP90AA1 P07900 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
ACHE P22303 1/20 0.36
MAOA P21397 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL16201577 0.80 TDP2 (0.39) HSP90AA1NPC1RAB9AALDH1A1HTR2B
SCHEMBL18156787 0.78 PNMT (0.52) PNMTNPC1RAB9AALDH1A1HTR7
SCHEMBL2573139 0.76 PNMT (0.53) PNMTNPC1RAB9AALDH1A1HTR7
SCHEMBL28124084 0.76 ALDH1A1 (0.52) HSP90AA1NPC1RAB9AALDH1A1TDP1
SCHEMBL1306345 0.76 MAPT (0.49) PNMTHSP90AA1NPC1RAB9AALDH1A1
SCHEMBL30751048 0.75 PNMT (0.49) PNMTNPC1RAB9AALDH1A1HTR7
SCHEMBL2059329 0.75 HSP90AA1 (0.42) PNMTHSP90AA1NPC1RAB9AALDH1A1
SCHEMBL31034027 0.75 HSP90AA1 (0.42) PNMTHSP90AA1NPC1RAB9AALDH1A1
SCHEMBL524602 0.74 PNMT (0.63) PNMTNPC1RAB9AALDH1A1HTR7
SCHEMBL30103334 0.74 PNMT (0.63) PNMTNPC1RAB9AALDH1A1HTR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140319507-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2014-10-30 US disclosed