SCHEMBL4889489

SCHEMBL4889489

C(=NCCN(CCN=Cc1ccccn1)CCN=Cc1ccccn1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
G6PC1 P35575 1/20 0.49
MAOA P21397 2/20 0.49
USP2 O75604 1/20 0.49
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
MAOB P27338 1/20 0.44
PAX8 Q06710 1/20 0.41
TOP2A P11388 2/20 0.40
ADORA2A P29274 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL14163516 1.00 NR4A1 (0.50) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL4255942 0.92 G6PC1 (0.47) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL4252465 0.92 G6PC1 (0.47) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL11694307 0.90 NR4A1 (0.45) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL12807574 0.90 NR4A1 (0.45) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL11694311 0.90 NR4A1 (0.45) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL4250239 0.87 NR4A1 (0.59) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL4250235 0.87 NR4A1 (0.59) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL12483007 0.86 MAOA (0.49) NR4A1G6PC1MAOAUSP2RAB9A
SCHEMBL13039651 0.86 MAOA (0.49) NR4A1G6PC1MAOAUSP2RAB9A

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