SCHEMBL5693499

SCHEMBL5693499

CC(=Nc1c(C)cc(C)cc1C)c1ccccn1.[Ni]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PAX8 Q06710 1/20 0.47
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSP90AA1 P07900 2/20 0.43
HKDC1 Q2TB90 1/20 0.43
TOP2A P11388 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42

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
SCHEMBL5588882 0.98 KDM4E (0.54) KDM4EPAX8ALDH1A1L3MBTL1LMNA
SCHEMBL18896034 0.98 KDM4E (0.54) KDM4EPAX8ALDH1A1L3MBTL1LMNA
SCHEMBL27823217 0.87 KDM4E (0.46) KDM4EPAX8ALDH1A1L3MBTL1LMNA
SCHEMBL5693593 0.87 KDM4E (0.56) KDM4EPAX8ALDH1A1L3MBTL1LMNA
SCHEMBL6917834 0.85 KDM4E (0.58) KDM4EPAX8ALDH1A1L3MBTL1LMNA
SCHEMBL5589082 0.85 KDM4E (0.58) KDM4EPAX8ALDH1A1L3MBTL1LMNA
Bromide SCHEMBL5572436 0.82 KDM4E (0.47) KDM4EPAX8ALDH1A1L3MBTL1LMNA
SCHEMBL27531246 0.82 KDM4E (0.44) KDM4EPAX8ALDH1A1L3MBTL1LMNA
SCHEMBL5587427 0.82 HSP90AA1 (0.35) KDM4EPAX8ALDH1A1CYP1A2HSP90AA1
SCHEMBL13350386 0.82 KDM4E (0.61) KDM4EPAX8ALDH1A1L3MBTL1LMNA

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-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed