SCHEMBL4252477

SCHEMBL4252477

C(=NC1CCCCC1N=Cc1ccc2ccccc2n1)c1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA1 Q13131 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 5/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
LMNA P02545 6/20 0.44
KDM4E B2RXH2 5/20 0.44
PKM P14618 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
TOP2A P11388 1/20 0.43
ADORA2A P29274 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL13276650 1.00 NPC1 (0.56) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL13276651 1.00 NPC1 (0.56) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL4252476 1.00 NPC1 (0.56) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL4257860 0.79 RAB9A (0.47) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL4257866 0.79 RAB9A (0.47) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL4258810 0.78 L3MBTL1 (0.43) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL4258797 0.78 L3MBTL1 (0.43) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL4258791 0.78 L3MBTL1 (0.43) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL4249760 0.75 L3MBTL1 (0.43) NPC1RAB9AALDH1A1CYP1A2HPGD
SCHEMBL4249749 0.75 L3MBTL1 (0.43) NPC1RAB9AALDH1A1CYP1A2HPGD

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