SCHEMBL17200747

SCHEMBL17200747

Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.Cc1ccc([I+]c2ccccc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.34
MMP2 P08253 1/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC4 P56524 1/20 0.33
CYP2D6 P10635 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
Toliodium SCHEMBL11250733 0.91 ACHE (0.40) ACHENPSR1CA12CA9TDP1
SCHEMBL7680409 0.87 HTR2A (0.31) TDP1CYP3A4
SCHEMBL1879917 0.87 HTR2A (0.31) TDP1CYP3A4
SCHEMBL956498 0.87 HTR2A (0.31) TDP1CYP3A4
SCHEMBL424552 0.87 ACHE (0.53) ACHELMNATSHRALOX12NPSR1
SCHEMBL5556834 0.87 HTR2A (0.31) TDP1CYP3A4
SCHEMBL29973455 0.83 ACHE (0.43) ACHELMNATSHRALOX12NPSR1
SCHEMBL31329266 0.83 ACHE (0.43) ACHELMNATSHRALOX12NPSR1
SCHEMBL1054644 0.83 ACHE (0.43) ACHELMNATSHRALOX12NPSR1
SCHEMBL1316122 0.79 BCHE (0.37) ACHELMNANPSR1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306845-A1 LAMINATION MADE OF RIGID SUBSTRATES WITH THIN ADHESIVE STRIPS TESA SE (DE) 2015-10-29 US disclosed