SCHEMBL8167553

SCHEMBL8167553

CC(=Nc1c(C(C)C)cccc1C(C)C)c1ccccn1.[Ni].[Ni]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.42
TOP2A P11388 2/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
AGTR1 P30556 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
OPRK1 P41145 2/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC2A1 P11166 1/20 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
SCHEMBL8166694 0.98 KDM4E (0.53) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL242518 0.98 KDM4E (0.53) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL242519 0.98 KDM4E (0.53) KDM4EALDH1A1TOP2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5083705 0.97 KDM4E (0.51) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL5693530 0.92 KDM4E (0.46) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL5589427 0.90 KDM4E (0.47) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL16471834 0.90 KDM4E (0.47) KDM4EALDH1A1TOP2ANPC1RAB9A
SCHEMBL8172155 0.85 KDM4E (0.44) KDM4EALDH1A1NPC1RAB9AAGTR1
SCHEMBL20094447 0.84 KDM4E (0.54) KDM4EALDH1A1TOP2ANPC1RAB9A
Hydrochloric Acid SCHEMBL8173542 0.84 KDM4E (0.42) KDM4EALDH1A1NPC1RAB9AAGTR1

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
WO-2000018776-A1 DIMERIC DIIMINE TRANSITION METAL COMPLEX AND CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-04-06 WO disclosed