SCHEMBL4257064

SCHEMBL4257064

C(=NCCN=Cc1ccncc1)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
G6PC1 P35575 1/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 6/20 0.41
GAA P10253 5/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 5/20 0.40
HTT P42858 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
CTH P32929 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4257061 1.00 CA2 (0.53) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL4254642 0.91 G6PC1 (0.51) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL4254637 0.91 G6PC1 (0.51) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL4898377 0.85 CA2 (0.46) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL15328915 0.79 KDM4E (0.50) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL15328916 0.79 KDM4E (0.50) CA2CA1G6PC1KMT2AALDH1A1
SCHEMBL5069119 0.78 TAAR1 (0.66) CA2CA1KMT2AALDH1A1MAPT
SCHEMBL5069118 0.78 TAAR1 (0.66) CA2CA1KMT2AALDH1A1MAPT
SCHEMBL11221212 0.76 MET (0.42) CA2CA1G6PC1KMT2ARAB9A
SCHEMBL11221210 0.76 MET (0.42) CA2CA1G6PC1KMT2ARAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US claimed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 US claimed
US-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-8268933-B2 Polymers functionalized with polyimine compounds BRIDGESTONE CORPORATION (JP) 2012-09-18 US disclosed
US-20090171035-A1 POLYMERS FUNCTIONALIZED WITH POLYIMINE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-07-02 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