SCHEMBL22779181

SCHEMBL22779181

N=Cc1cc(-c2ccccc2[N+](=O)[O-])ccc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ HCAR3 P49019 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ WNK1 Q9H4A3 1/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MYC P01106 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ AKR1C4 P17516 2/20 0.39
▸ AKR1C3 P42330 2/20 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
SCHEMBL22779179 0.90 TDP1 (0.51) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL16424912 0.87 L3MBTL1 (0.62) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL25239708 0.76 TDP1 (0.70) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL4281290 0.76 L3MBTL1 (0.56) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL18915104 0.75 L3MBTL1 (0.51) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL15811368 0.75 TDP1 (0.50) TDP1L3MBTL1ALDH1A1MAPK1MAPT
SCHEMBL29021111 0.71 ALDH1A1 (0.66) TDP1L3MBTL1ALDH1A1MAPK1MAPT
SCHEMBL5159865 0.71 L3MBTL1 (0.68) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL17154869 0.70 L3MBTL1 (0.55) TDP1L3MBTL1ALDH1A1MAPK1CASP7
SCHEMBL31333098 0.70 TDP1 (1.00) TDP1L3MBTL1ALDH1A1MAPK1CASP7

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
EP-2897185-B1 Organic light-emitting device SAMSUNG DISPLAY CO LTD (KR) 2020-12-16 — — EP disclosed
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