SCHEMBL12798097

SCHEMBL12798097

COC(=O)Cc1cc(Br)c(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PRKCA P17252 2/20 0.43
▸ MAOA P21397 1/20 0.41
▸ PLAUR Q03405 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL12798104 0.91 MEN1 (0.50) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL12798083 0.89 MEN1 (0.52) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL12798110 0.87 MEN1 (0.50) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL12798093 0.85 MEN1 (0.43) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL12798092 0.84 KMT2A (0.67) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL13884756 0.83 MEN1 (0.51) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL13295528 0.82 MAPT (0.50) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL12798105 0.82 MEN1 (0.40) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL305741 0.81 MAPT (0.52) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL13893454 0.81 MEN1 (0.48) KMT2AMEN1MAPTTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901496-B2 Phase change inks XEROX CORPORATION (US) 2011-03-08 — — US disclosed
US-7901496-B2 Phase change inks XEROX CORPORATION (US) 2011-03-08 — — US disclosed
US-7683192-B2 Colorant compounds XEROX CORPORATION (US) 2010-03-23 — — US disclosed
US-7683192-B2 Colorant compounds XEROX CORPORATION (US) 2010-03-23 — — US disclosed
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