SCHEMBL28113537

SCHEMBL28113537

COc1ccc(C=CC(=O)Oc2ccccc2I)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
F3 P13726 2/20 0.54
BCHE P06276 1/20 0.54
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
THRB P10828 1/20 0.53
ATM Q13315 1/20 0.53
GSK3B P49841 1/20 0.51
MAOB P27338 3/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL29555131 0.84 KMT2A (0.59) KMT2AMAPTMEN1F3BCHE
SCHEMBL10037013 0.84 KMT2A (0.59) KMT2AMAPTMEN1F3BCHE
SCHEMBL689212 0.84 KMT2A (0.59) KMT2AMAPTMEN1F3BCHE
SCHEMBL27965950 0.84 KMT2A (0.66) KMT2AMAPTMEN1F3BCHE
SCHEMBL7694734 0.82 KMT2A (0.69) KMT2AMAPTMEN1F3BCHE
SCHEMBL7694732 0.82 KMT2A (0.69) KMT2AMAPTMEN1F3BCHE
SCHEMBL18121572 0.82 KMT2A (0.76) KMT2AMAPTMEN1F3BCHE
SCHEMBL16628762 0.81 TUBB4A (0.59) KMT2AMAPTMEN1F3BCHE
SCHEMBL16628763 0.81 TUBB4A (0.59) KMT2AMAPTMEN1F3BCHE
SCHEMBL4691601 0.81 KMT2A (0.71) KMT2AMAPTMEN1F3BCHE

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
CN-103959152-B Method for producing liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-30 CN disclosed