SCHEMBL13423632

SCHEMBL13423632

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ASAH1 Q13510 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRKCA P17252 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
SCHEMBL12798093 0.84 MEN1 (0.43) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL12798110 0.84 MEN1 (0.50) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL12798083 0.82 MEN1 (0.52) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL13884920 0.82 MEN1 (0.40) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL13884751 0.82 MEN1 (0.40) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL12798105 0.81 MEN1 (0.40) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL12798097 0.80 KMT2A (0.50) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL13884754 0.79 MEN1 (0.43) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL12798104 0.78 MEN1 (0.50) MEN1LMNAKMT2ANPSR1NPC1
SCHEMBL13884843 0.78 SIRT2 (0.40) MEN1LMNAKMT2ANPSR1NPC1

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