SCHEMBL9507852

SCHEMBL9507852

COc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
MMP14 P50281 1/20 0.65
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 2/20 0.59
USP2 O75604 1/20 0.59
DUSP3 P51452 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
HSP90AA1 P07900 2/20 0.57
HSP90AB1 P08238 2/20 0.57
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 3/20 0.51
POLB P06746 3/20 0.51
FGB P02675 1/20 0.51

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
SCHEMBL30544874 0.87 MEN1 (0.82) KMT2AMEN1MMP14ALDH1A1MAPT
SCHEMBL6419867 0.87 MEN1 (0.82) KMT2AMEN1MMP14ALDH1A1MAPT
SCHEMBL11201460 0.85 HTT (0.56) KMT2AMEN1MMP14ALDH1A1MAPT
SCHEMBL10797954 0.83 KMT2A (0.56) KMT2AMEN1MMP14ALDH1A1MAPT
SCHEMBL14600815 0.83 MEN1 (0.76) KMT2AMEN1MMP14ALDH1A1MAPT
SCHEMBL12957175 0.83 MEN1 (0.76) KMT2AMEN1MMP14ALDH1A1MAPT
SCHEMBL9174800 0.83 MEN1 (0.76) KMT2AMEN1MMP14ALDH1A1MAPT
SCHEMBL11489194 0.82 MEN1 (0.63) KMT2AMEN1MMP14ALDH1A1MAPT
SCHEMBL3415157 0.80 MEN1 (0.72) KMT2AMEN1MMP14MAPTTDP1
SCHEMBL14380331 0.80 KMT2A (0.67) KMT2AMEN1MMP14ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409636-B1 THERMAL TRANSFER IMAGING USING ALKYLCARBONYLAMINO-ANTHRAQUINONE DYES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-09-01 EP disclosed
US-4988664-A THERMAL TRANSFER IMAGE, LAYER WITH ANTHRAQUINONE DYE, MULTILAYER ELEMENT FOR TEXTILES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-01-29 US disclosed
EP-0409636-A1 Thermal transfer imaging using alkylcarbonylamino-anthraquinone dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-01-23 EP disclosed