SCHEMBL28090002

SCHEMBL28090002

COc1cccc([N+](=O)[O-])c1.[H+]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
ACHE P22303 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
MAOB P27338 1/20 0.54
KEAP1 Q14145 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL28218708 0.98 LMNA (0.61) NFE2L2LMNATSHRMAPTALDH1A1
SCHEMBL515302 0.98 LMNA (0.61) NFE2L2LMNATSHRMAPTALDH1A1
SCHEMBL30059246 0.98 LMNA (0.61) NFE2L2LMNATSHRMAPTALDH1A1
SCHEMBL30612688 0.96 NFE2L2 (0.59) NFE2L2LMNATSHRMAPTALDH1A1
Methylamine SCHEMBL11814441 0.94 NFE2L2 (0.58) NFE2L2LMNATSHRMAPTALDH1A1
Nitrogen SCHEMBL8501917 0.94 NFE2L2 (0.58) NFE2L2LMNATSHRMAPTALDH1A1
Anisole SCHEMBL28873619 0.93 NFE2L2 (0.60) NFE2L2LMNATSHRMAPTALDH1A1
Nitrogen SCHEMBL8500176 0.93 NFE2L2 (0.56) NFE2L2LMNATSHRMAPTALDH1A1
Cyanide SCHEMBL27784323 0.93 NFE2L2 (0.56) NFE2L2LMNATSHRMAPTALDH1A1
SCHEMBL28255500 0.93 NFE2L2 (0.56) NFE2L2LMNATSHRMAPTALDH1A1

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
CN-104379572-B Benzo [a] carbazole compound, electron transport materials and use its organic electric-field light-emitting element 捷恩智株式会社 2016-09-21 CN disclosed