SCHEMBL8550121

SCHEMBL8550121

CCOC(=O)c1c(C2CC2)nc(CC)n1Cc1c2ccocc-2c(Cl)c1-c1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
P2RX7 Q99572 1/20 0.31
BRD4 O60885 1/20 0.31
BUB1 O43683 1/20 0.31

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
SCHEMBL8548391 0.93 ALDH1A1 (0.35) ALDH1A1TSHRMKNK2TP53MEN1
SCHEMBL8548985 0.90 ALDH1A1 (0.33) ALDH1A1TSHRMKNK2TP53MEN1
SCHEMBL8548830 0.89 ALDH1A1 (0.33) ALDH1A1TSHRMKNK2TP53MEN1
SCHEMBL8544134 0.86
SCHEMBL8549059 0.85 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ABUB1
SCHEMBL9309104 0.84 MKNK2 (0.34) MKNK2TP53ADORA3ADORA2AADORA1
SCHEMBL9310413 0.82 MKNK2 (0.33) MKNK2ADORA3ADORA2AADORA1BRD4
SCHEMBL9429517 0.81 ALDH1A1 (0.36) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL8544767 0.79
SCHEMBL9309256 0.78 AGTR1 (0.38) MKNK2

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