SCHEMBL5558638

SCHEMBL5558638

N=C(N)NC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPIA P62937 7/20 0.42
GAA P10253 1/20 0.42
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 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
SCHEMBL5464407 0.83 KMT2A (0.53) KMT2AMAPTMEN1LMNATSHR
SCHEMBL11483016 0.79 KMT2A (0.50) KMT2AMAPTMEN1LMNATSHR
SCHEMBL5525117 0.79 KMT2A (0.59) KMT2AMAPTMEN1LMNATSHR
SCHEMBL11483849 0.75 KMT2A (0.50) KMT2AMAPTMEN1LMNATSHR
SCHEMBL29273709 0.74 MAPT (0.65) KMT2AMAPTMEN1LMNATSHR
Iodide SCHEMBL11495519 0.73 KMT2A (0.49) KMT2AMAPTMEN1LMNATSHR
SCHEMBL1007576 0.72 MAPT (0.62) KMT2AMAPTMEN1LMNATSHR
SCHEMBL1567605 0.72 KMT2A (0.61) KMT2AMAPTMEN1LMNATSHR
SCHEMBL144326 0.71 KMT2A (0.65) KMT2AMAPTMEN1LMNATSHR
SCHEMBL7528270 0.71 MAPT (0.65) KMT2AMAPTMEN1LMNATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689705-A4 FUSED RING DICATIONIC ANTI-PROTOZOAN AGENTS AND THEIR PRODRUGS UNIV NORTH CAROLINA (US) 2007-08-29 EP disclosed
EP-1689705-A2 FUSED RING DICATIONIC ANTI-PROTOZOAN AGENTS AND THEIR PRODRUGS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-08-16 EP disclosed
WO-2005051296-A2 FUSED RING DICATIONIC ANTI-PROTOZOAN AGENTS AND THEIR PRODRUGS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-09 WO disclosed