SCHEMBL13884850

SCHEMBL13884850

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)OCc1ccc(-c2cc(Br)c(Nc3ccc(O)c4c3C(=O)c3ccccc3C4=O)c(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PLAUR Q03405 1/20 0.35
▸ PRKCA P17252 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ SIRT2 Q8IXJ6 6/20 0.34
▸ SIRT1 Q96EB6 5/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.33
▸ MTOR P42345 1/20 0.32
▸ MMP3 P08254 1/20 0.32

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
SCHEMBL13884855 0.89 MEN1 (0.39) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13884843 0.88 SIRT2 (0.40) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13884754 0.86 MEN1 (0.43) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13884838 0.85 NPC1 (0.47) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13884847 0.84 MEN1 (0.48) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13893564 0.84 NPC1 (0.46) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13884841 0.82 NPC1 (0.52) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13884839 0.82 NPC1 (0.46) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13884856 0.81 MAPT (0.53) NPC1RAB9AMEN1LMNAMAPT
SCHEMBL13884737 0.78 MAPT (0.59) NPC1RAB9AMEN1LMNAMAPT

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-7524979-B2 Methods of making colorant compounds XEROX CORPORATION (US) 2009-04-28 — — US disclosed
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