SCHEMBL2711486

SCHEMBL2711486

COC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1.COC(=O)c1cc(N)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 2/20 0.44
MAPT P10636 10/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ATM Q13315 2/20 0.39

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
SCHEMBL310741 0.92 ATAD2 (0.58) ATAD2TDP1CNR2MAPTALDH1A1
SCHEMBL311084 0.92 TDP1 (0.55) TDP1CNR2MAPTALDH1A1HSD17B10
SCHEMBL2015855 0.81 CA1 (0.48) ATAD2TDP1CNR2MAPTALDH1A1
SCHEMBL1495498 0.81 TDP1 (0.64) TDP1CNR2MAPTALDH1A1HSD17B10
SCHEMBL8410461 0.81 ATAD2 (0.60) ATAD2TDP1CNR2MAPTALDH1A1
SCHEMBL2491580 0.80 NPC1 (0.54) ATAD2TDP1MAPTALDH1A1LMNA
SCHEMBL18172349 0.79 MAPT (0.50) ATAD2MAPTALDH1A1HPGDKDM4E
SCHEMBL21253164 0.79 ATAD2 (0.50) ATAD2MAPTALDH1A1HSD17B10HPGD
SCHEMBL18172335 0.79 KDM4E (0.50) ATAD2MAPTALDH1A1HSD17B10HPGD
SCHEMBL18496642 0.79 SLC6A3 (0.45) MAPTALDH1A1HPGDKDM4ELMNA

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-2445889-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2012-05-02 EP disclosed
WO-2010149541-A1 NOVEL OXAZOLONE AND PYRROLIDINONE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 WO disclosed