SCHEMBL9318339

SCHEMBL9318339

CC(C)(C)OC(=O)c1ccccc1-c1oc2ccc(CBr)cc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ACHE P22303 1/20 0.34
AR P10275 2/20 0.34
MAPT P10636 2/20 0.32
PLK1 P53350 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AGTR1 P30556 1/20 0.32
GAA P10253 1/20 0.32
AKT1 P31749 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL7303326 0.89 ALOX5 (0.38) ALOX5AGTR1
SCHEMBL9320103 0.88 SLC6A3 (0.43) ALOX5CYP4F2CYP4A11MAPTKMT2A
SCHEMBL9571330 0.86 CYP4F2 (0.53) ALOX5CYP4F2CYP4A11PLK1MEN1
SCHEMBL9318344 0.85 CYP4F2 (0.36) ALOX5CYP4F2CYP4A11ACHEAR
SCHEMBL9318354 0.84 KDM4E (0.45) ALOX5ARMAPTMEN1KMT2A
SCHEMBL9710750 0.84 HSP90AA1 (0.38) MEN1KMT2AAKT1KDM4EALDH1A1
SCHEMBL7303338 0.82 AR (0.34) ALOX5CYP4F2CYP4A11ACHEAR
SCHEMBL8548495 0.77 MEN1 (0.35) ALOX5MAPTMEN1KMT2AAGTR1
SCHEMBL8544446 0.77 HTT (0.45) ALOX5KMT2AAGTR1KDM4EALDH1A1
SCHEMBL9313939 0.75 ALOX5 (0.50) ALOX5CYP4F2CYP4A11PLK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5317023-A 2-Phenyl-(imidazo(4,5-b)pyridyl-methyl-) derivatives; hypertensive agents; cognition activators GLAXO GROUP LIMITED (GB) 1994-05-31 US disclosed
WO-1992020679-A1 BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514197-A1 Anti-hypertensive benzofuran derivatives substituted by N-imidazolyl-methyl groups which are condensed with optionally nitrogen containing, six-membered rings GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed