SCHEMBL5677667

SCHEMBL5677667

O=S(=O)(c1ccccc1C(Br)(Br)Br)c1ccccc1C(Br)(Br)Br.O=S(=O)(c1ncccc1C(Br)(Br)Br)c1ncccc1C(Br)(Br)Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
SLC40A1 Q9NP59 3/20 0.38
SLC22A12 Q96S37 1/20 0.37
NFE2L2 Q16236 6/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
CA9 Q16790 1/20 0.33
CNR2 P34972 1/20 0.33
MET P08581 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
NPY1R P25929 1/20 0.32
NFKBIA P25963 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL3904354 0.89 NFE2L2 (0.39) SLC40A1SLC22A12NFE2L2KMT2AMEN1
SCHEMBL294598 0.82 GAA (0.46) HTR6SLC22A12KMT2AMEN1GAA
SCHEMBL5713263 0.75 COMT (0.38) NFE2L2KMT2AMEN1RAB9AGAA
SCHEMBL7760171 0.71 GAA (0.34) KMT2AMEN1GAA
SCHEMBL4930571 0.71 HTR6 (0.53) HTR6KMT2AGAA
SCHEMBL3136914 0.66 MYC (0.41) KMT2AMEN1GAACA1CA2
SCHEMBL9360088 0.65 HSD11B1 (0.54) HTR6KMT2AMEN1GAACA2
SCHEMBL8178997 0.65 HSD11B1 (0.32) GAA
SCHEMBL28212024 0.65 KMT2A (0.58) HTR6KMT2AMEN1RAB9AMET
SCHEMBL29874131 0.64 MEN1 (0.60) HTR6SLC22A12KMT2AMEN1GAA

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
EP-1631456-A2 1-4-DIHYDROPYRIDINE-CONTAINING IR-SENSITIVE COMPOSITION AND USE THEREOF FOR THE PRODUCTION OF IMAGEABLE ELEMENTS Kodak Polychrome Graphics GmbH (DE) 2006-03-08 EP disclosed
WO-2005001571-A2 1-4-DIHYDROPYRIDINE-CONTAINING IR-SENSITIVE COMPOSITION AND USE THEREOF FOR THE PRODUCTION OF IMAGEABLE ELEMENTS KODAK POLYCHROME GRAPHICS GMBH (DE) 2005-01-06 WO disclosed