SCHEMBL13893509

SCHEMBL13893509

CC(O)OCCc1cc(Br)c(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PRKCA P17252 2/20 0.41
▸ MAOA P21397 2/20 0.39
▸ MTOR P42345 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ PLAUR Q03405 2/20 0.37
▸ TOP2A P11388 2/20 0.35
▸ TOP2B Q02880 2/20 0.35
▸ POLB P06746 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HPGD P15428 3/20 0.34

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
SCHEMBL13295528 0.86 MAPT (0.50) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13884912 0.85 MEN1 (0.45) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13884756 0.84 MEN1 (0.51) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13893454 0.84 MEN1 (0.48) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13884749 0.82 MEN1 (0.48) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL12798097 0.80 KMT2A (0.50) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL12798083 0.80 MEN1 (0.52) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL305741 0.79 MAPT (0.52) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL13884754 0.79 MEN1 (0.43) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL12798104 0.78 MEN1 (0.50) MEN1KMT2AMAPTTDP1MAPK1

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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