SCHEMBL5572224

SCHEMBL5572224

Cc1cccc(-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 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 5/20 0.36
SYK P43405 2/20 0.34
ACHE P22303 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 2/20 0.32
HSD17B10 Q99714 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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 0.87 ACHE (0.35) PIP4K2CSYKACHEKDM4EMAPT
SCHEMBL3699747 0.85 ACHE (0.36) PIP4K2CACHEKDM4EMAPTNPSR1
SCHEMBL5571172 0.84 ACHE (0.39) PIP4K2CACHEKDM4EMAPTNPSR1
SCHEMBL5569887 0.84 MAPT (0.37) PIP4K2CACHEKDM4EMAPTNPSR1
Hydrochloric Acid SCHEMBL3692650 0.83 ACHE (0.34) PIP4K2CACHEKDM4EMAPTNPSR1
Bromide SCHEMBL3688167 0.83 ACHE (0.34) PIP4K2CACHEKDM4EMAPTNPSR1
Bromide SCHEMBL3698942 0.83 ACHE (0.34) PIP4K2CACHEKDM4EMAPTNPSR1
Bromide SCHEMBL3692644 0.83 ACHE (0.34) PIP4K2CACHEKDM4EMAPTNPSR1
Hydrochloric Acid SCHEMBL3698983 0.83 ACHE (0.34) PIP4K2CACHEKDM4EMAPTNPSR1
Hydrochloric Acid SCHEMBL3696794 0.83 ACHE (0.34) PIP4K2CACHEKDM4EMAPTNPSR1

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 2 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 disclosed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO disclosed