SCHEMBL5218082

SCHEMBL5218082

NCCNc1cccc2c1C(=O)c1ccccc1C2=O.Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.63
▸ MAOB P27338 1/20 0.63
▸ MAPK1 P28482 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ EGFR P00533 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ RECQL P46063 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAD52 P43351 1/20 0.50
▸ RAB9A P51151 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ PABPC1 P11940 1/20 0.47

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
SCHEMBL126055 0.89 MAPT (0.59) MAOAMAPK1MAPTMEN1KMT2A
SCHEMBL20334198 0.83 NSD2 (0.53) MAOAMAOBMAPK1MAPTMEN1
SCHEMBL109325 0.80 MEN1 (0.64) MAOAMAPK1MAPTMEN1KMT2A
SCHEMBL30129869 0.80 MAOA (1.00) MAOAMAOBMAPK1MAPTMEN1
SCHEMBL487001 0.80 MAOA (1.00) MAOAMAOBMAPK1MAPTMEN1
SCHEMBL8602072 0.79 MAPT (0.63) MAOAMAPK1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6577424 0.79 MAPT (0.63) MAOAMAPK1MAPTMEN1KMT2A
SCHEMBL11648905 0.79 MEN1 (0.46) MAOAMAOBMAPK1MAPTMEN1
SCHEMBL29886736 0.78 MEN1 (0.63) MAOAMAPK1MAPTMEN1KMT2A
SCHEMBL4198607 0.78 MEN1 (0.63) MAOAMAPK1MAPTMEN1KMT2A

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
EP-1819779-A2 PARTICULAR DISSYMMETRICAL CATIONIC POLYAZO COMPOUNDS, COMPOSITIONS COMPRISING THEM AS DIRECT DYE, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE THEREFOR L'Oréal (FR) 2007-08-22 — — EP disclosed
WO-2006056489-A2 PARTICULAR DISSYMMETRICAL CATIONIC POLYAZO COMPOUNDS, COMPOSITIONS COMPRISING THEM AS DIRECT DYE, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE THEREFOR L'OREAL (FR) 2006-06-01 — — WO disclosed
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