SCHEMBL12798083

SCHEMBL12798083

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ PRKCA P17252 2/20 0.44
▸ MAOA P21397 2/20 0.43
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PLAUR Q03405 2/20 0.38
▸ POLB P06746 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ BLM P54132 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PABPC1 P11940 2/20 0.38

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
SCHEMBL12798097 0.89 KMT2A (0.50) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL12798110 0.89 MEN1 (0.50) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL12798104 0.87 MEN1 (0.50) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL13295528 0.84 MAPT (0.50) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL12798084 0.83 MAPT (0.70) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL305741 0.83 MAPT (0.52) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL13423632 0.82 TRPV1 (0.49) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL13313382 0.81 MEN1 (0.49) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL12798093 0.81 MEN1 (0.43) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL13884756 0.81 MEN1 (0.51) MEN1KMT2AMAPTTDP1NPC1

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 2 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-7683192-B2 Colorant compounds XEROX CORPORATION (US) 2010-03-23 — — US disclosed
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