SCHEMBL5568545

SCHEMBL5568545

Cc1ccc(C(C)C)c(-c2cc(C(C)C)c(N=CCc3ccccn3)c(C(C)C)c2)c1-c1cc(C(C)C)c(N=CCc2ccccn2)c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PIP4K2C Q8TBX8 1/20 0.33
BRD4 O60885 2/20 0.32
SYK P43405 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5571377 0.93 ACHE (0.35) ACHEKDM4EMAPTNPSR1ALDH1A1
SCHEMBL5569887 0.90 MAPT (0.37) ACHEKDM4EMAPTNPSR1ALDH1A1
SCHEMBL5571172 0.90 ACHE (0.39) ACHEKDM4EMAPTNPSR1ALDH1A1
SCHEMBL5571432 0.88 MEN1 (0.36) ACHEKDM4EMAPTALDH1A1LMNA
SCHEMBL5572224 0.87 PIP4K2C (0.36) ACHEKDM4EMAPTNPSR1ALDH1A1
SCHEMBL3699747 0.87 ACHE (0.36) ACHEKDM4EMAPTNPSR1ALDH1A1
Bromide SCHEMBL3688167 0.85 ACHE (0.34) ACHEKDM4EMAPTNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL3692650 0.85 ACHE (0.34) ACHEKDM4EMAPTNPSR1ALDH1A1
Bromide SCHEMBL3692644 0.85 ACHE (0.34) ACHEKDM4EMAPTNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL3698983 0.85 ACHE (0.34) ACHEKDM4EMAPTNPSR1ALDH1A1

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-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP claimed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO claimed
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