SCHEMBL9506785

SCHEMBL9506785

O=[N+]([O-])c1ccccc1N=Nc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.52
PLAU P00749 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
HPGD P15428 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47

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
SCHEMBL9506778 1.00 PTPN11 (0.52) PTPN11PLAUNPC1RAB9AMEN1
SCHEMBL8081716 0.90 MEN1 (0.60) PTPN11PLAUNPC1RAB9AMEN1
SCHEMBL9717754 0.90 MEN1 (0.52) PTPN11PLAUNPC1RAB9AMEN1
SCHEMBL9717757 0.90 MEN1 (0.52) PTPN11PLAUNPC1RAB9AMEN1
SCHEMBL9177007 0.90 MEN1 (0.60) PTPN11PLAUNPC1RAB9AMEN1
SCHEMBL9258245 0.87 MEN1 (0.56) PTPN11NPC1RAB9AMEN1KMT2A
SCHEMBL11217415 0.83 IDE (0.53) PTPN11PLAUNPC1RAB9AMEN1
SCHEMBL9251209 0.81 NPC1 (0.46) PTPN11PLAUNPC1RAB9AMEN1
SCHEMBL24213305 0.81 NPC1 (0.59) PTPN11PLAUNPC1RAB9AMEN1
SCHEMBL5838349 0.81 NPC1 (0.59) PTPN11PLAUNPC1RAB9AMEN1

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
JP-5140066-A None JP disclosed
JP-H05140066-A AZOBENZENE-TYPE COMPOUND SEIKO EPSON CORP 1993-06-08 JP disclosed