SCHEMBL9320112

SCHEMBL9320112

COC(=O)c1ccccc1-c1oc(Cl)c2cc(CBr)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.43
SLC6A4 P31645 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SLC6A2 P23975 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
HPGD P15428 4/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCB1 P08183 1/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ATM Q13315 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL27536359 0.91 SLC6A3 (0.41) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL9318344 0.88 CYP4F2 (0.36) SLC6A3SLC6A4KMT2AHTTCYP4F2
SCHEMBL8544448 0.87 KMT2A (0.46) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL9320103 0.84 SLC6A3 (0.43) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL9318636 0.83 SLC6A3 (0.47) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL8544446 0.82 HTT (0.45) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL27536360 0.81 SLC6A3 (0.42) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL27350253 0.80 KMT2A (0.45) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL9308171 0.78 SLC6A3 (0.42) SLC6A3SLC6A4KMT2AHTTALDH1A1
SCHEMBL9313945 0.76 CYP4F2 (0.48) KMT2AALDH1A1KDM4ECYP4F2CYP4A11

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