SCHEMBL8549281

SCHEMBL8549281

Cc1ccc2c(-c3ccccc3N(C(=O)O)C(C)(C)C)oc(Br)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
LMNA P02545 1/20 0.32
C1R P00736 1/20 0.31
TACR1 P25103 1/20 0.31
MAOB P27338 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8550098 0.87 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL8548840 0.86 KDM4E (0.35) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL8549279 0.85 KDM4E (0.43) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL8548832 0.78 KDM4E (0.44) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL7312950 0.78 KDM4E (0.53) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL9616425 0.76
SCHEMBL8548499 0.75 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL7302856 0.74 AR (0.38) KDM4EPOLBMEN1KMT2AMAPT
SCHEMBL9318424 0.73 AGTR2 (0.38)
SCHEMBL9737687 0.73 AGTR1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514198-B1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LTD (GB) 1998-08-05 EP disclosed
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 US disclosed
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
US-5332831-A Angiotensin antagonist GLAXO GROUP LIMITED (GB) 1994-07-26 US disclosed
WO-1992020674-A1 1H-IMIDAZOL-1-YL-METHYL BENZOFURAN DERIVATIVES, WITH THE IMIDAZOLYL MOIETY BEING SUBSTITUTED BY A CYCLOALKYL GROUP GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514216-A1 Antihypotensive benzofuran derivatives with N-linked 1H-imidazolyl-methyl-5-carboxamide substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
EP-0514198-A1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed