SCHEMBL8958440

SCHEMBL8958440

CCCCC(=O)Nc1nc(Cc2ccc(-c3ccccc3C(=O)OC)cc2)c([N+](=O)[O-])c(C)c1Br

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.50
LTB4R2 Q9NPC1 2/20 0.43
ALDH1A1 P00352 2/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ACHE P22303 1/20 0.37

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
SCHEMBL8872745 0.95 BDKRB1 (0.49) BDKRB1LTB4R2ALDH1A1AGTR1AGTR2
SCHEMBL8873289 0.87 BDKRB1 (0.49) BDKRB1LTB4R2ALDH1A1AGTR1AGTR2
SCHEMBL8873138 0.85 SLC6A3 (0.39) BDKRB1ALDH1A1SLC6A3
SCHEMBL8872322 0.84 BDKRB1 (0.55) BDKRB1LTB4R2ALDH1A1AGTR1AGTR2
SCHEMBL8873832 0.82 BDKRB1 (0.48) BDKRB1LTB4R2AGTR1AGTR2SLC6A3
SCHEMBL8873040 0.79 BDKRB1 (0.54) BDKRB1LTB4R2ALDH1A1MEN1KMT2A
SCHEMBL8872577 0.76 LTB4R2 (0.59) LTB4R2AGTR1
SCHEMBL8872353 0.75 SLC6A3 (0.40) BDKRB1ALDH1A1AGTR1AGTR2SLC6A3
SCHEMBL8874082 0.74 BDKRB1 (0.64) BDKRB1LTB4R2ALDH1A1AGTR1AGTR2
SCHEMBL8872358 0.73 BDKRB1 (0.38) BDKRB1ALDH1A1AGTR1AGTR2SLC6A3

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
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed