SCHEMBL7367739

SCHEMBL7367739

N=C(NO)c1ccccc1-c1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.35
CHRNB2 P17787 6/20 0.35
CHRNA4 P43681 6/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
SLC6A3 Q01959 3/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC6A4 P31645 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 3/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31

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
SCHEMBL7398164 0.85 BCAT2 (0.48) BCAT2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL206918 0.78 BCAT2 (0.46) BCAT2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28068964 0.75 SLC6A3 (0.39) BCAT2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7430881 0.73 BCAT2 (0.50) BCAT2SLC6A3ALDH1A1SLC6A4HDAC8
SCHEMBL298628 0.72 HNF4A (0.53) BCAT2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8790448 0.71 HNF4A (0.44) BCAT2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL208788 0.70 BCAT2 (0.71) BCAT2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL696234 0.70 SLC6A3 (0.66) SLC6A3ALDH1A1SLC6A4MEN1KMT2A
SCHEMBL1836912 0.69 MAPK1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL7132247 0.68 BCAT2 (0.52) BCAT2CHRNB2CHRNA4CHRNB4CHRNA3

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
EP-2673274-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF AZILSARTAN MEDOXOMIL Jubilant Life Sciences Limited (IN) 2013-12-18 EP disclosed
WO-2012107814-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF AZILSARTAN MEDOXOMIL JUBILANT LIFE SCIENCES LIMITED (IN) 2012-08-16 WO disclosed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO disclosed