SCHEMBL1768446

SCHEMBL1768446

COc1cccc(I)c1-c1c(Br)cccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
TOP1 P11387 1/20 0.38
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36

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
SCHEMBL7285232 0.88 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL5568763 0.81 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL28148154 0.76 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL9025114 0.75 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL4054307 0.75 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL1768310 0.74 TOP1 (0.47) CA1CA2CA7CA9CA12
SCHEMBL1768355 0.74 TOP1 (0.47) CA1CA2CA7CA9CA12
SCHEMBL7626440 0.74 FABP4 (0.46) CA1CA2CA7CA9CA12
SCHEMBL366191 0.72 TOP1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL12994033 0.71 CA1 (0.46) CA1CA2CA7CA9CA12

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
WO-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed
EP-1761548-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2007-03-14 EP disclosed
WO-2006002729-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2006-01-12 WO disclosed
EP-1609795-A1 Process for the preparation of asymmetrically substituted biaryldiphosphines Lonza AG (CH) 2005-12-28 EP disclosed