SCHEMBL9843754

SCHEMBL9843754

COc1ccc(OC)c(NCC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 2/20 0.48
CYP2D6 P10635 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL11309686 0.85 CYP2D6 (0.51) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11039045 0.83 GAA (0.58) KMT2AMEN1MAPTGAALMNA
SCHEMBL11310343 0.81 ADRB2 (0.44) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL31377084 0.80 KMT2A (0.54) KMT2AMEN1MAPTGAATP53
SCHEMBL31377083 0.80 KMT2A (0.54) KMT2AMEN1MAPTGAATP53
SCHEMBL2498219 0.80 KMT2A (0.54) KMT2AMEN1MAPTGAATP53
SCHEMBL17847346 0.79 GAA (0.50) KMT2AMEN1MAPTGAATP53
SCHEMBL5663443 0.77 KMT2A (0.51) KMT2AMEN1MAPTGAATP53
SCHEMBL18236653 0.77 CHRM2 (0.53) KMT2AMEN1MAPTGAALMNA
SCHEMBL5295491 0.77 LMNA (0.57) ADRB2ADRB1ADRB3KMT2AMEN1

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
EP-0441396-A1 Thermal transfer recording sheet and ink composition for producing the same MITSUBISHI KASEI CORPORATION (JP) 1991-08-14 EP disclosed