SCHEMBL5569887

SCHEMBL5569887

Cc1ccc(Br)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 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
KMT2A Q03164 1/20 0.31
BRD4 O60885 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
SCHEMBL5568545 0.90 ACHE (0.35) MAPTACHEKDM4ENPSR1ALDH1A1
SCHEMBL5571603 0.88 CYP1A2 (0.40) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5571172 0.88 ACHE (0.39) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL5572224 0.84 PIP4K2C (0.36) MAPTACHEKDM4ENPSR1ALDH1A1
SCHEMBL3699747 0.84 ACHE (0.36) MAPTNPC1CYP1A2CYP2C19RAB9A
SCHEMBL5571377 0.84 ACHE (0.35) MAPTCYP1A2CYP2C9CYP2C19ACHE
SCHEMBL5571432 0.83 MEN1 (0.36) MAPTNPC1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3692650 0.82 ACHE (0.34) MAPTCYP1A2CYP2C19ACHEKDM4E
Bromide SCHEMBL3688167 0.82 ACHE (0.34) MAPTNPC1CYP1A2CYP2C19RAB9A
Bromide SCHEMBL3692644 0.82 ACHE (0.34) MAPTNPC1CYP1A2CYP2C19RAB9A

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