SCHEMBL3690402

SCHEMBL3690402

Cc1c(C)c(N=Cc2ccccn2)c(C)c(C)c1N=CCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.47
MAOA P21397 2/20 0.46
GAA P10253 1/20 0.46
MAOB P27338 1/20 0.43
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
G6PC1 P35575 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.37

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
Hydrochloric Acid SCHEMBL3694565 0.97 NR4A1 (0.45) NR4A1MAOAGAAMAOBHKDC1
Hydrochloric Acid SCHEMBL3699077 0.97 NR4A1 (0.45) NR4A1MAOAGAAMAOBHKDC1
Bromide SCHEMBL3697257 0.97 NR4A1 (0.45) NR4A1MAOAGAAMAOBHKDC1
Bromide SCHEMBL3686461 0.97 NR4A1 (0.45) NR4A1MAOAGAAMAOBHKDC1
Bromide SCHEMBL3686605 0.97 NR4A1 (0.45) NR4A1MAOAGAAMAOBHKDC1
Hydrochloric Acid SCHEMBL3697767 0.97 NR4A1 (0.45) NR4A1MAOAGAAMAOBHKDC1
SCHEMBL3693124 0.90 HRH3 (0.40) ALDH1A1PKMMAPTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL3691911 0.87 LMNA (0.40) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
Bromide SCHEMBL3701568 0.87 HRH3 (0.38) ALDH1A1PKMMAPTSMN1; SMN2L3MBTL1
Bromide SCHEMBL3691481 0.87 HRH3 (0.38) ALDH1A1PKMMAPTSMN1; SMN2L3MBTL1

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 6 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
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