SCHEMBL17029040

SCHEMBL17029040

O=[N+]([O-])c1ccc(Cl)cc1-c1ccc2c(c1)cc1c3ccccc3c3ccccc3n21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.38
▸ MAPT P10636 7/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ EIF4E P06730 1/20 0.35
▸ PDE7A Q13946 2/20 0.34
▸ PDE7B Q9NP56 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34

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
SCHEMBL17029039 0.87 ALDH1A1 (0.45) MAPTLMNAHPGDMEN1KMT2A
SCHEMBL16050101 0.80 ALDH1A1 (0.43) MAPTLMNATSHRHPGDMEN1
SCHEMBL19725244 0.80 MAPK1 (0.42) HSD11B1MAPTNPSR1LMNAGAA
SCHEMBL16671215 0.78 L3MBTL1 (0.42) HSD11B1MAPTNPSR1LMNAGAA
SCHEMBL23510387 0.77 MAPK1 (0.42) HSD11B1MAPTNPSR1LMNAGAA
SCHEMBL17029057 0.77 ALDH1A1 (0.45) MAPTLMNATSHRHPGDMEN1
SCHEMBL16671030 0.76 L3MBTL1 (0.42) MAPTNPSR1LMNAGAAMAPK1
SCHEMBL15796896 0.74 BIRC5 (0.42) HSD11B1MAPTNPSR1LMNAGAA
SCHEMBL19997903 0.73 MAPK1 (0.45) HSD11B1MAPTNPSR1LMNAGAA
SCHEMBL16415953 0.72 NR3C1 (0.46) HSD11B1MAPTNPSR1LMNAGAA

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
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