SCHEMBL28137679

SCHEMBL28137679

O=[N+]([O-])c1ccccc1Nc1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
ALDH1A1 P00352 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
CASP7 P55210 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPAS1 Q99814 1/20 0.48
CXCR2 P25025 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
KAT2B Q92831 2/20 0.46
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL397773 0.88 MAPK1 (0.77) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL30677987 0.86 MAPK1 (0.64) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL22188151 0.86 MAPK1 (0.64) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL14372966 0.85 MAPK1 (0.54) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL22964930 0.84 CXCR2 (0.50) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL31072242 0.84 CXCR2 (0.50) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL27831601 0.84 MAPT (0.69) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL5378419 0.79 MAPK1 (0.48) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL27198947 0.79 AKR1C3 (0.57) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL338789 0.79 MAPK1 (0.74) MAPK1ALDH1A1TDP1CASP7L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106831864-B Based on phenylbenzimidazol monopole thermal excitation delayed fluorescence main body, the preparation method and application of electron transport material 黑龙江大学 2019-04-19 CN claimed
CN-106831864-A Based on phenylbenzimidazol monopole thermal excitation delayed fluorescence main body, the preparation method and application of electron transport material 黑龙江大学 2017-06-13 CN claimed
CN-106831864-B Based on phenylbenzimidazol monopole thermal excitation delayed fluorescence main body, the preparation method and application of electron transport material 黑龙江大学 2019-04-19 CN disclosed
CN-106831864-A Based on phenylbenzimidazol monopole thermal excitation delayed fluorescence main body, the preparation method and application of electron transport material 黑龙江大学 2017-06-13 CN disclosed