SCHEMBL4249749

SCHEMBL4249749

C(=N\C1CCCCC1/N=C\c1ncc2ccccc2n1)\c1ncc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HTR3A P46098 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GPR3 P46089 1/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HPGD P15428 1/20 0.32
PRKAG1 P54619 1/20 0.32

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
SCHEMBL4249760 1.00 L3MBTL1 (0.43) L3MBTL1HCRTR1HCRTR2HTR3AHRH4
SCHEMBL4249755 1.00 L3MBTL1 (0.43) L3MBTL1HCRTR1HCRTR2HTR3AHRH4
SCHEMBL4252476 0.75 NPC1 (0.56) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13276651 0.75 NPC1 (0.56) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13276650 0.75 NPC1 (0.56) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4252477 0.75 NPC1 (0.56) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4257860 0.74 RAB9A (0.47) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4257866 0.74 RAB9A (0.47) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4254395 0.72 HTR3A (0.38) HTR3AHRH4NPC1RAB9AALDH1A1
SCHEMBL4254398 0.72 HTR3A (0.38) HTR3AHRH4NPC1RAB9AALDH1A1

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