SCHEMBL8548499

SCHEMBL8548499

CC(C)(C)N(C(=O)O)c1ccccc1-c1oc(Cl)c2cc(CBr)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PPARG P37231 1/20 0.30
HTT P42858 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 0.88 MEN1 (0.39) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL8548840 0.86 KDM4E (0.35) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL8548495 0.84 MEN1 (0.35) MEN1KMT2AALDH1A1LMNAUSP2
SCHEMBL8550091 0.83 MEN1 (0.38) MEN1KMT2AALDH1A1LMNA
SCHEMBL9318344 0.76 CYP4F2 (0.36) KMT2AHTT
SCHEMBL8549281 0.75 KDM4E (0.35) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL9320112 0.74 SLC6A3 (0.43) KMT2AALDH1A1LMNAUSP2NPC1
SCHEMBL8549279 0.70 KDM4E (0.43) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL8548832 0.70 KDM4E (0.44) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL16968516 0.68 TACR1 (0.47) MEN1KMT2AALDH1A1USP2NPC1

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
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