SCHEMBL5569884

SCHEMBL5569884

CC(=Nc1c(C(C)C)cc(C(c2ccc(Br)cc2)c2cc(C(C)C)c(N=C(C)c3ccccn3)c(C(C)C)c2)cc1C(C)C)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
OPRK1 P41145 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
AGTR1 P30556 4/20 0.38
TLR7 Q9NYK1 1/20 0.37
MITF O75030 1/20 0.36
SLC2A1 P11166 1/20 0.35
GAA P10253 1/20 0.34
POLB P06746 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
SCHEMBL5568543 0.92 KDM4E (0.43) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL5572221 0.90 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL5571169 0.89 KDM4E (0.41) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL5571601 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL5571430 0.84 RAB9A (0.48) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL5571374 0.80 KDM4E (0.43) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL242519 0.78 KDM4E (0.53) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL8166694 0.78 KDM4E (0.53) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL242518 0.78 KDM4E (0.53) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL5083705 0.77 KDM4E (0.51) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1

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