SCHEMBL4254637

SCHEMBL4254637

C(=N/CC/N=C/c1ccncc1)\c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.51
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.47
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 6/20 0.44
APOBEC3G Q9HC16 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
ROCK2 O75116 1/20 0.43
GRK2 P25098 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B2 P19099 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4254642 1.00 G6PC1 (0.51) G6PC1CA2CA1LMNAL3MBTL1
SCHEMBL4257064 0.91 CA2 (0.53) G6PC1CA2CA1LMNAL3MBTL1
SCHEMBL4257061 0.91 CA2 (0.53) G6PC1CA2CA1LMNAL3MBTL1
SCHEMBL845362 0.87 CA2 (0.61) G6PC1CA2CA1LMNAL3MBTL1
SCHEMBL4256710 0.87 CA2 (0.61) G6PC1CA2CA1LMNAL3MBTL1
SCHEMBL845363 0.87 CA2 (0.61) G6PC1CA2CA1LMNAL3MBTL1
SCHEMBL4253702 0.82 ALDH1A1 (0.60) G6PC1CA2LMNATAAR1MAPT
SCHEMBL4253696 0.82 ALDH1A1 (0.60) G6PC1CA2LMNATAAR1MAPT
SCHEMBL27519024 0.80 CA2 (0.54) G6PC1CA2CA1LMNAL3MBTL1
SCHEMBL27630254 0.79 CA2 (0.53) G6PC1CA2CA1LMNAL3MBTL1

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