SCHEMBL8545688

SCHEMBL8545688

CCOC(=O)c1c(C2CC2)nc(CC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
ADORA2B P29275 3/20 0.32
MAPT P10636 3/20 0.31
GRK6 P43250 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 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
SCHEMBL9429570 0.91 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL8549059 0.91 ALDH1A1 (0.38) ALDH1A1TSHRADORA2BMAPTLMNA
SCHEMBL9663223 0.91 AGTR1 (0.30)
SCHEMBL8545039 0.90 ALDH1A1 (0.37) ALDH1A1TSHRADORA2BMAPTLMNA
SCHEMBL9309904 0.89 MAPK1 (0.36) ALDH1A1TSHRADORA2BMAPTKDM4E
SCHEMBL8543440 0.88 ALDH1A1 (0.36) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL9429517 0.88 ALDH1A1 (0.36) ALDH1A1TSHRKDM4EMEN1HPGD
SCHEMBL9310339 0.88 KDM4E (0.33) ALDH1A1ADORA2BKDM4EMAPK1SIRT3
SCHEMBL8548670 0.86 ALDH1A1 (0.35) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL9308888 0.85 AGTR1 (0.31) ADORA2B

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