SCHEMBL5571374

SCHEMBL5571374

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
PAX8 Q06710 1/20 0.40
LMNA P02545 3/20 0.38
MITF O75030 1/20 0.38
OPRK1 P41145 4/20 0.38
AGTR1 P30556 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX12 P18054 1/20 0.37
GFER P55789 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
SCHEMBL5571421 0.90 KDM4E (0.43) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5571601 0.89 NPC1 (0.45) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5568543 0.88 KDM4E (0.43) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5573236 0.84 RAB9A (0.47) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5572221 0.81 SMN1; SMN2 (0.44) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5571169 0.81 KDM4E (0.41) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5569884 0.80 NPC1 (0.44) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5588882 0.80 KDM4E (0.54) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL18896034 0.80 KDM4E (0.54) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5693499 0.78 KDM4E (0.53) KDM4ENPC1RAB9AKMT2ASMN1; SMN2

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