SCHEMBL11795154

SCHEMBL11795154

CN(C)c1ccc(/C=N\O)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.63
ACHE P22303 5/20 0.56
BCHE P06276 2/20 0.54
BACE1 P56817 4/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11795164 1.00 PTGS2 (0.63) PTGS2ACHEBCHEBACE1MAPT
SCHEMBL9686162 0.81 PTGS2 (0.66) PTGS2ACHEBCHEBACE1MAPT
SCHEMBL1647170 0.81 PTGS2 (0.66) PTGS2ACHEBCHEBACE1MAPT
SCHEMBL29559360 0.78 PTGS2 (0.71) PTGS2ACHEBCHEBACE1MAPT
SCHEMBL25288369 0.78 KMT2A (0.65) MAPTALDH1A1KMT2AMAPK1HTT
SCHEMBL28668014 0.78 KMT2A (0.65) MAPTALDH1A1KMT2AMAPK1HTT
SCHEMBL11794018 0.77 PTGS2 (0.51) PTGS2ACHEBCHEBACE1MAPT
SCHEMBL1650914 0.77 PTGS2 (0.82) PTGS2ACHEBCHEBACE1MAPT
SCHEMBL1650911 0.77 PTGS2 (0.82) PTGS2ACHEBCHEBACE1MAPT
SCHEMBL31611890 0.76 MAPK1 (0.49) MAPTALDH1A1KMT2AMAPK1HTT

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
US-3971821-A Production of aminobenzaldehydes BASF AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed