SCHEMBL14527790

SCHEMBL14527790

C=C(/N=C(\N=C(/N)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)N1CCOCC1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.54
▸ KMT2A Q03164 9/20 0.54
▸ MEN1 O00255 8/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ ALDH1A1 P00352 11/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MET P08581 1/20 0.46
▸ HPGD P15428 7/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ ALOX12 P18054 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ NR4A1 P22736 1/20 0.40

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
SCHEMBL8239208 0.72 HTT (0.71) MAPTKMT2AMEN1TDP1LMNA
SCHEMBL4408424 0.68 MAPT (0.68) MAPTKMT2AMEN1TDP1LMNA
SCHEMBL13497056 0.67 MAPT (0.76) MAPTKMT2AMEN1TDP1LMNA
SCHEMBL4326725 0.62 MEN1 (1.00) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL4326729 0.62 MEN1 (1.00) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL12417172 0.61 MAPT (1.00) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL4323309 0.60 MAPT (1.00) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL4323306 0.60 MAPT (1.00) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL12417168 0.60 MAPT (0.82) MAPTKMT2AMEN1TDP1LMNA
SCHEMBL12819601 0.60 KDM4E (0.48) MAPTKMT2AMEN1LMNAPOLB

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
EP-1790345-A1 Triazin beta-secretase inhibitors Esbatech AG (CH) 2007-05-30 — — EP disclosed
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