SCHEMBL6974954

SCHEMBL6974954

O=[N+]([O-])c1ccc(-c2cc[c]cc2[N+](=O)[O-])nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
SLC2A1 P11166 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
GAA P10253 2/20 0.36
ALOX12 P18054 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.35
AGTR1 P30556 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL6800906 0.77 TDP1 (0.38) MAPTTDP1KMT2AALDH1A1MEN1
SCHEMBL695031 0.76 RAB9A (0.43) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL3156019 0.75 MAPT (0.52) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL695700 0.75 LMNA (0.40) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL6806454 0.71 TDP1 (0.46) MAPTTDP1KMT2AALDH1A1MEN1
SCHEMBL8974165 0.70 NPC1 (0.53) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL7086023 0.70 ALDH1A1 (0.47) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL28610542 0.69 ALDH1A1 (0.53) MAPTTDP1KMT2AALDH1A1MEN1
SCHEMBL28607197 0.69 GPR35 (0.51) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL14880717 0.69 TSHR (0.47) MAPTTDP1KMT2ALMNAALDH1A1

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-1351939-A1 COUPLER/DEVELOPER AND COUPLER/COUPLER HYBRID DYES AND COUPLER/DEVELOPER AND COUPLER/COUPLER HYBRID DYE INTERMEDIATES Henkel Kommanditgesellschaft auf Aktien (DE) 2003-10-15 EP disclosed
WO-2002055500-A1 COUPLER/DEVELOPER AND COUPLER/COUPLER HYBRID DYES AND COUPLER/DEVELOPER AND COUPLER/COUPLER HYBRID DYE INTERMEDIATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-07-18 WO disclosed