SCHEMBL17029043

SCHEMBL17029043

O=[N+]([O-])c1ccc(Cl)cc1-c1ccc2c(ccn2-c2ccccc2Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.42
PDE7B Q9NP56 2/20 0.42
HSD11B1 P28845 1/20 0.39
MAPT P10636 6/20 0.35
MAPK1 P28482 4/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
EIF4E P06730 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
SCHEMBL17029045 0.88 ALDH1A1 (0.42) HSD11B1MAPTMAPK1MEN1KMT2A
SCHEMBL15796896 0.84 BIRC5 (0.42) PDE7APDE7BHSD11B1MAPTMAPK1
SCHEMBL17029046 0.79 ALDH1A1 (0.42) HSD11B1MAPTMAPK1MEN1KMT2A
SCHEMBL6298250 0.78 MAPK1 (0.46) PDE7AHSD11B1MAPTMAPK1GAA
SCHEMBL15481629 0.76 PLA2G4A (0.39) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL15618131 0.74 LMNA (0.47) HSD11B1MAPTGAATSHRLMNA
SCHEMBL15596418 0.74 HDAC3 (0.38) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL11014635 0.72 MAPK1 (0.52) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL15618120 0.72 EIF4E (0.41) HSD11B1POLBALDH1A1EIF4E
SCHEMBL15477945 0.71 ALDH1A1 (0.50) HSD11B1MAPTMAPK1MEN1KMT2A

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed