SCHEMBL6934682

SCHEMBL6934682

Cc1nn(C)c(NCCN2CCCCC2)c1N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.42
KAT2B Q92831 3/20 0.42
TLR8 Q9NR97 3/20 0.40
TLR7 Q9NYK1 3/20 0.40
ACHE P22303 3/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIM1 P11309 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6935628 0.85 NMT1 (0.44) NMT1TLR8TLR7ALDH1A1GAA
SCHEMBL6934565 0.82 KDM4E (0.35) GAA
SCHEMBL1801275 0.76 KDM4E (0.35) ALDH1A1GAA
SCHEMBL5228462 0.73 KDM4E (0.34) GAA
SCHEMBL6934679 0.72 CYP1A2 (0.37) HRH3
SCHEMBL7114634 0.70 MAPT (0.39) GAA
SCHEMBL6934711 0.69 SMN1; SMN2 (0.37) ALDH1A1GAAL3MBTL1
SCHEMBL6937423 0.69 NPC1 (0.44) ALDH1A1L3MBTL1ADRA2A
SCHEMBL1805254 0.68 GAA (0.36) GAA
SCHEMBL33611 0.67 KDM4E (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304995-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP claimed
WO-2002009662-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO claimed
EP-1304995-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP disclosed
WO-2002009662-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed