SCHEMBL9320103

SCHEMBL9320103

COC(=O)c1ccccc1-c1oc2ccc(CBr)cc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SLC6A2 P23975 1/20 0.39
ATM Q13315 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL9571330 0.89 CYP4F2 (0.53) KMT2AALOX5ALDH1A1KDM4ECYP4F2
SCHEMBL8544446 0.89 HTT (0.45) SLC6A3SLC6A4KMT2AHTTALOX5
SCHEMBL9318339 0.88 ALOX5 (0.38) KMT2AHTTALOX5MAPTALDH1A1
SCHEMBL9320112 0.84 SLC6A3 (0.43) SLC6A3SLC6A4KMT2AHTTMAPT
SCHEMBL9318622 0.83 KDM4E (0.47) SLC6A3SLC6A4KMT2AHTTALOX5
SCHEMBL12433181 0.83 SLC6A3 (0.51) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL8544448 0.81 KMT2A (0.46) SLC6A3SLC6A4KMT2AHTTMAPT
SCHEMBL9313939 0.78 ALOX5 (0.50) KMT2AALOX5ALDH1A1KDM4ECYP4F2
SCHEMBL7303326 0.77 ALOX5 (0.38) ALOX5
SCHEMBL9308162 0.77 CA12 (0.50) SLC6A3SLC6A4KMT2AHTTMAPT

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