SCHEMBL4898377

SCHEMBL4898377

C(=NCCN(CCN=Cc1ccncc1)CCN=Cc1ccncc1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
G6PC1 P35575 1/20 0.42
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 5/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 4/20 0.35
HTT P42858 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
CTH P32929 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL4257064 0.85 CA2 (0.53) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL4257061 0.85 CA2 (0.53) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL4891588 0.79 CA2 (0.52) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL16073014 0.79 CA2 (0.52) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL4900404 0.78 ALDH1A1 (0.56) G6PC1KMT2AALDH1A1RAB9AMAPT
SCHEMBL4254637 0.78 G6PC1 (0.51) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL4254642 0.78 G6PC1 (0.51) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL4252465 0.73 G6PC1 (0.47) CA2G6PC1KMT2AALDH1A1RAB9A
SCHEMBL4255942 0.73 G6PC1 (0.47) CA2G6PC1KMT2AALDH1A1RAB9A
SCHEMBL15328915 0.71 KDM4E (0.50) CA2CA1G6PC1KMT2AALDH1A1

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