SCHEMBL18915104

SCHEMBL18915104

Bc1cc(C=N)c(Nc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ HCAR3 P49019 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ POLB P06746 1/20 0.45
▸ WNK1 Q9H4A3 1/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ MYC P01106 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40

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
SCHEMBL22779179 0.75 TDP1 (0.51) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL22779181 0.75 TDP1 (0.51) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL16424912 0.71 L3MBTL1 (0.62) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL9943157 0.71 L3MBTL1 (0.70) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL12928913 0.71 L3MBTL1 (0.65) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL31333098 0.69 TDP1 (1.00) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL230292 0.69 TDP1 (1.00) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL5242050 0.68 L3MBTL1 (0.60) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL11554686 0.68 L3MBTL1 (0.63) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL8619524 0.66 L3MBTL1 (0.69) L3MBTL1TDP1ALDH1A1MAPK1CASP7

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-2017090901-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-01 — — WO disclosed
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