SCHEMBL5573236

SCHEMBL5573236

CC(=Nc1c(C)cc(C(c2ccc([N+](=O)[O-])cc2)c2cc(C)c(N=C(C)c3ccccn3)c(C)c2)cc1C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
HTT P42858 4/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
AGTR1 P30556 1/20 0.47
OPRK1 P41145 1/20 0.47
MAPT P10636 8/20 0.42
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 0.41

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
SCHEMBL5571430 0.87 RAB9A (0.48) RAB9AHTTKDM4EGAATDP1
SCHEMBL5571421 0.84 KDM4E (0.43) RAB9AHTTKDM4EGAATDP1
SCHEMBL5571374 0.84 KDM4E (0.43) RAB9AHTTKDM4EGAATDP1
SCHEMBL5571601 0.83 NPC1 (0.45) RAB9AHTTKDM4EGAATDP1
SCHEMBL5569091 0.77 MAPT (0.49) RAB9AHTTKDM4EGAATDP1
SCHEMBL5588882 0.74 KDM4E (0.54) RAB9AHTTKDM4EGAATDP1
SCHEMBL18896034 0.74 KDM4E (0.54) RAB9AHTTKDM4EGAATDP1
SCHEMBL13304115 0.73 RAB9A (0.47) RAB9AHTTKDM4EGAATDP1
SCHEMBL5693499 0.73 KDM4E (0.53) RAB9AHTTKDM4EGAATDP1
SCHEMBL8094742 0.72 ALDH1A1 (0.40) RAB9AGAATDP1LMNAMAPT

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