SCHEMBL28068964

SCHEMBL28068964

N=C(NO)c1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.39
ALDH1A1 P00352 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LTB4R2 Q9NPC1 5/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SLC6A4 P31645 2/20 0.33
HTT P42858 2/20 0.33

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 0.81 BCAT2 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29502712 0.75 LTB4R2 (0.57) CES2CES1LTB4R2
SCHEMBL365731 0.75 LTB4R2 (0.57) CES2CES1LTB4R2
SCHEMBL7367739 0.75 BCAT2 (0.35) SLC6A3ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL10892045 0.74 ALDH1A1 (0.57) ALDH1A1TRPA1TSHRCES2CES1
SCHEMBL12494835 0.74 SLC6A3 (0.35) SLC6A3LTB4R2SLC6A4
SCHEMBL5902171 0.73 BCAT2 (0.65) SLC6A3ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL7897093 0.73 BCAT2 (0.42) SLC6A3ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL7430881 0.73 BCAT2 (0.50) SLC6A3ALDH1A1TSHRHDAC8HDAC6
SCHEMBL29390423 0.73 SLC6A3 (0.68) SLC6A3TSHRLTB4R2SLC6A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622595-A Novel preparation method of azilsartan medoxomil sylvite and its intermediate CHONGQING LAND TOWER PHARMACEUTICAL CO LTD 2016-06-01 CN claimed
CN-105622595-A Novel preparation method of azilsartan medoxomil sylvite and its intermediate CHONGQING LAND TOWER PHARMACEUTICAL CO LTD 2016-06-01 CN disclosed