SCHEMBL15845453

SCHEMBL15845453

O=[N+]([O-])c1ccccc1-c1cc(Cl)c2ccn(-c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HSD11B1 P28845 1/20 0.40
▸ FGFR1 P11362 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ F2 P00734 1/20 0.36
▸ C1R P00736 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ EIF4E P06730 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ VCAM1 P19320 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTRA2 O43464 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL15845440 0.81 HSD11B1 (0.41) ALDH1A1TDP1HSD11B1FGFR1LMNA
SCHEMBL15845503 0.81 ALDH1A1 (0.44) ALDH1A1TDP1HSD11B1MAPTMEN1
SCHEMBL15845437 0.81 ALDH1A1 (0.47) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15596380 0.79 ALDH1A1 (0.50) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15845487 0.78 ALDH1A1 (0.42) ALDH1A1TDP1HSD11B1FGFR1LMNA
SCHEMBL15801580 0.77 ALDH1A1 (0.46) ALDH1A1TDP1FGFR1LMNAMAPT
SCHEMBL15568528 0.77 TDP1 (0.46) ALDH1A1TDP1FGFR1MAPTMEN1
SCHEMBL15845502 0.77 HSD11B1 (0.44) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15845441 0.77 HSD11B1 (0.44) ALDH1A1TDP1HSD11B1FGFR1MAPT
SCHEMBL15801524 0.76 ALDH1A1 (0.44) ALDH1A1TDP1HSD11B1FGFR1LMNA

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-2014104664-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
WO-2014104664-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
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