SCHEMBL3689959

SCHEMBL3689959

Cc1cc(Cc2cc(C(C)C)c(/N=C/c3ccccn3)c(C(C)C)c2)cc(C)c1/N=C/c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.46
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.40
G6PC1 P35575 1/20 0.36
TOP2A P11388 1/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3689962 1.00 NR4A1 (0.46) NR4A1MAOAMAOBGAAG6PC1
Bromide SCHEMBL3690814 0.98 NR4A1 (0.43) NR4A1MAOAMAOBGAAG6PC1
Bromide SCHEMBL3693814 0.98 NR4A1 (0.43) NR4A1MAOAMAOBGAAG6PC1
Hydrochloric Acid SCHEMBL3688306 0.98 NR4A1 (0.43) NR4A1MAOAMAOBGAAG6PC1
Hydrochloric Acid SCHEMBL3693441 0.98 NR4A1 (0.43) NR4A1MAOAMAOBGAAG6PC1
Bromide SCHEMBL3693541 0.98 NR4A1 (0.43) NR4A1MAOAMAOBGAAG6PC1
Hydrochloric Acid SCHEMBL3691378 0.98 NR4A1 (0.43) NR4A1MAOAMAOBGAAG6PC1
SCHEMBL3694195 0.94 NR4A1 (0.47) NR4A1MAOAMAOBGAAG6PC1
Bromide SCHEMBL3686418 0.91 NR4A1 (0.45) NR4A1MAOAMAOBGAAG6PC1
Bromide SCHEMBL3701021 0.91 NR4A1 (0.45) NR4A1MAOAMAOBGAAG6PC1

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
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US disclosed
US-20080033125-A1 Transition Metal Compounds for Olefin Polymerization and Oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-07 US disclosed
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