SCHEMBL8548832

SCHEMBL8548832

Cc1ccc2oc(-c3ccccc3N(C(=O)O)C(C)(C)C)c(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSNK2A2 P19784 4/20 0.38
CSNK2B P67870 4/20 0.38
CSNK2A1 P68400 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35

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
SCHEMBL8549279 0.86 KDM4E (0.43) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL8548495 0.86 MEN1 (0.35) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL8548840 0.83 KDM4E (0.35) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL8544320 0.79 KDM4E (0.63) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL8549281 0.78 KDM4E (0.35) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL9434971 0.76 KDM4E (0.47) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL9318354 0.76 KDM4E (0.45) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL8550091 0.74 MEN1 (0.38) ALDH1A1MEN1KMT2ALMNA
SCHEMBL9318622 0.74 KDM4E (0.47) KDM4EPOLBMAPTALDH1A1HPGD
SCHEMBL8548499 0.70 MEN1 (0.36) MAPTALDH1A1MEN1KMT2AHTT

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 4 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-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