SCHEMBL11203010

SCHEMBL11203010

O=C(NOc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
POLB P06746 3/20 0.60
MITF O75030 2/20 0.60
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
FFAR1 O14842 2/20 0.53
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.51
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
MCL1 Q07820 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL1389308 0.82 KMT2A (0.51) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL126697 0.81 ALDH1A1 (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27372795 0.80 KMT2A (0.70) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL11059936 0.78 GAA (0.72) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2521071 0.78 TSHR (0.53) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL4929277 0.78 MEN1 (0.77) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL29251267 0.78 KMT2A (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6457145 0.77 MAPT (0.73) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL27894878 0.77 MAPT (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL27800573 0.77 NPC1 (0.56) NPC1RAB9AMEN1KMT2APOLB

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
EP-0091851-A1 Process for preparing aryl ethers carrying different substituents on the two aromatic nuclei Institut Français du Pétrole (FR) 1983-10-19 EP disclosed