SCHEMBL4889496

SCHEMBL4889496

CC(N=Cc1ccccn1)N(C(C)N=Cc1ccccn1)C(C)N=Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
MAOA P21397 2/20 0.49
USP2 O75604 1/20 0.49
MAOB P27338 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
G6PC1 P35575 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
SLC2A1 P11166 1/20 0.44
TOP2A P11388 2/20 0.43
CTH P32929 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4889484 1.00 NR4A1 (0.50) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL9914143 0.83 NR4A1 (0.55) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL10319210 0.83 NR4A1 (0.55) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL16471855 0.80 NR4A1 (0.52) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL15931825 0.79 NR4A1 (0.50) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL23934773 0.77 NR4A1 (0.49) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL9914144 0.77 MAOA (0.51) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL2558333 0.77 MAOA (0.51) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL16459026 0.77 NR4A1 (0.49) NR4A1MAOAUSP2MAOBNPC1
SCHEMBL5485156 0.77 NR4A1 (0.49) NR4A1MAOAUSP2MAOBNPC1

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
US-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed