SCHEMBL4257866

SCHEMBL4257866

C(=NC1CCCCC1N=Cc1cnc2ccccc2n1)c1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 5/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.39
PIM1 P11309 1/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
PDE10A Q9Y233 1/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4257860 1.00 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL4252476 0.79 NPC1 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL13276651 0.79 NPC1 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL13276650 0.79 NPC1 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL4252477 0.79 NPC1 (0.56) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL4249749 0.74 L3MBTL1 (0.43) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL4249755 0.74 L3MBTL1 (0.43) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL4249760 0.74 L3MBTL1 (0.43) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL4258797 0.74 L3MBTL1 (0.43) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL4258791 0.74 L3MBTL1 (0.43) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E

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