SCHEMBL16424912

SCHEMBL16424912

N=Cc1cc(-c2ccc(Cl)cc2[N+](=O)[O-])ccc1Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ APP P05067 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ HCAR3 P49019 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ RCOR1 Q9UKL0 1/20 0.41
▸ WNK1 Q9H4A3 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL22779181 0.87 TDP1 (0.51) L3MBTL1ALDH1A1TDP1MAPK1CASP7
SCHEMBL22779179 0.78 TDP1 (0.51) L3MBTL1ALDH1A1TDP1MAPK1CASP7
SCHEMBL4943940 0.78 L3MBTL1 (1.00) L3MBTL1APPALDH1A1TDP1MAPK1
SCHEMBL5214993 0.73 RAB9A (0.63) L3MBTL1APPALDH1A1TDP1MAPK1
SCHEMBL3253899 0.72 L3MBTL1 (0.77) L3MBTL1APPALDH1A1TDP1MAPK1
SCHEMBL2138649 0.72 MAPK1 (0.57) L3MBTL1ALDH1A1TDP1MAPK1MAPT
SCHEMBL18915104 0.71 L3MBTL1 (0.51) L3MBTL1ALDH1A1TDP1MAPK1CASP7
SCHEMBL2332567 0.71 L3MBTL1 (0.65) L3MBTL1APPALDH1A1TDP1MAPK1
SCHEMBL28656833 0.70 RAB9A (0.53) L3MBTL1ALDH1A1TDP1MAPK1MAPT
SCHEMBL17870883 0.70 RAB9A (0.59) L3MBTL1APPALDH1A1TDP1MAPK1

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
WO-2015012528-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2015-01-29 — — WO disclosed
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