SCHEMBL4258797

SCHEMBL4258797

C(=NC1CCCCC1N=Cc1cc2ccccc2nn1)c1cc2ccccc2nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 3/20 0.36
MAPT P10636 5/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 7/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
MPI P34949 1/20 0.31

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
SCHEMBL4258810 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL4258791 1.00 L3MBTL1 (0.43) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL13276651 0.78 NPC1 (0.56) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL4252476 0.78 NPC1 (0.56) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL4252477 0.78 NPC1 (0.56) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL13276650 0.78 NPC1 (0.56) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL4257866 0.74 RAB9A (0.47) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL4257860 0.74 RAB9A (0.47) L3MBTL1KDM4EMAPTRAB9ANPC1
SCHEMBL4254515 0.72 KDM4E (0.41) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4254514 0.72 KDM4E (0.41) KDM4EMAPTRAB9ANPC1SMN1; 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
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-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