SCHEMBL6154096

SCHEMBL6154096

CC(=Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
AGTR1 P30556 3/20 0.51
ALDH1A1 P00352 3/20 0.42
TOP2A P11388 2/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 7/20 0.41
GAA P10253 3/20 0.41
TNF P01375 1/20 0.41
KLF5 Q13887 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 3/20 0.39
OPRK1 P41145 3/20 0.39

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
SCHEMBL6154094 1.00 KDM4E (0.51) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL5889037 0.86 AGTR1 (0.59) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL6150375 0.85 AGTR1 (0.58) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL13754805 0.79 KDM4E (0.63) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL239417 0.79 KDM4E (0.63) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL239416 0.79 KDM4E (0.63) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL5589232 0.78 AGTR1 (0.51) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL17620785 0.75 KDM4E (0.54) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL15828354 0.75 KDM4E (0.54) KDM4EAGTR1ALDH1A1TOP2ARAB9A
SCHEMBL20220197 0.74 KDM4E (0.53) KDM4EALDH1A1TOP2ARAB9ANPC1

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-1542797-A2 CATALYST SYSTEMS FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-06-22 EP disclosed
WO-2004037415-A2 CATALYST SYSTEMS FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2004-05-06 WO disclosed