SCHEMBL3689607

SCHEMBL3689607

C/C(=N/c1c(C)c(C)c(N)c(C)c1C)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.43
TOP2A P11388 2/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
AGTR1 P30556 3/20 0.42
PAX8 Q06710 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 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
SCHEMBL3689609 1.00 KDM4E (0.53) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL13350386 0.92 KDM4E (0.61) KDM4EALDH1A1TOP2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5148537 0.83 HSP90AA1 (0.33) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5148511 0.82 HSP90AA1 (0.35) KDM4EALDH1A1TDP1HSP90AA1
SCHEMBL5148507 0.82 HSP90AA1 (0.35) KDM4EALDH1A1TDP1HSP90AA1
Hydrochloric Acid SCHEMBL5148533 0.79 HSP90AA1 (0.33) ALDH1A1HSP90AA1
SCHEMBL5589082 0.79 KDM4E (0.58) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL6917834 0.79 KDM4E (0.58) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL5693593 0.78 KDM4E (0.56) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL29733362 0.77 KDM4E (0.51) KDM4EALDH1A1TOP2ANPC1RAB9A

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
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US disclosed
US-20080033125-A1 Transition Metal Compounds for Olefin Polymerization and Oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed
EP-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP disclosed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO disclosed