SCHEMBL4253063

SCHEMBL4253063

Cn1cccc1C=NCCN=Cc1cccn1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4253058 1.00 CA1 (0.59) CA1CA2ALDH1A1SMN1; SMN2TRIM24
SCHEMBL1129761 0.80 ALDH1A1 (0.58) CA1CA2ALDH1A1SMN1; SMN2TRIM24
SCHEMBL15548462 0.77 CA1 (0.46) CA1CA2ALDH1A1SMN1; SMN2TRIM24
SCHEMBL15548463 0.77 CA1 (0.46) CA1CA2ALDH1A1SMN1; SMN2TRIM24
SCHEMBL4890466 0.77
SCHEMBL9653641 0.77
SCHEMBL4890469 0.77
SCHEMBL18583356 0.73 ALDH1A1 (0.51) CA1CA2ALDH1A1SMN1; SMN2TRIM24
SCHEMBL214210 0.73 ALDH1A1 (0.51) CA1CA2ALDH1A1SMN1; SMN2TRIM24
SCHEMBL214209 0.73 ALDH1A1 (0.51) CA1CA2ALDH1A1SMN1; SMN2TRIM24

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