SCHEMBL7975345

SCHEMBL7975345

CC(C)(C)[Si](C)(C)OCCOc1cccc(CBr)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
DUT P33316 2/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
CASR P41180 1/20 0.31
DHFR P00374 1/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL7963933 0.86 KDM4E (0.40) CA12CA1CA2CA9CA14
SCHEMBL14804182 0.77 L3MBTL1 (0.51) LMNAHPGDL3MBTL1MAPTALDH1A1
SCHEMBL4295990 0.74 KDM4E (0.46) DUTKDM4ELMNAHPGDL3MBTL1
SCHEMBL29628726 0.74 MAPT (0.37) CA12CA1CA2CA9CA14
SCHEMBL1927440 0.74 HTR7 (0.50) KDM4ELMNAHPGDL3MBTL1MAPT
SCHEMBL13552009 0.73 LMNA (0.39) CA12CA1CA2CA9CA14
SCHEMBL12634752 0.72 MAPT (0.40) DUTKDM4ELMNAL3MBTL1NPSR1
SCHEMBL20900528 0.72 TDP1 (0.44) KDM4ELMNAHPGDL3MBTL1NPSR1
SCHEMBL14804186 0.72 L3MBTL1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL30611906 0.72 ALDH1A1 (0.33) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed