SCHEMBL2491559

SCHEMBL2491559

N#Cc1ccccc1C=Nc1cccc(N=Cc2ccccc2C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA7 P43166 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 5/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
POLB P06746 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL2491557 1.00 CA1 (0.45) CA1CA2CA9CA7SMN1; SMN2
SCHEMBL9378539 0.89 SIRT2 (0.46) CA1CA2CA9CA7SMN1; SMN2
SCHEMBL9378541 0.89 SIRT2 (0.46) CA1CA2CA9CA7SMN1; SMN2
SCHEMBL16621369 0.89 PTGS2 (0.47) CA1CA2CA9CA7SMN1; SMN2
SCHEMBL16621366 0.89 PTGS2 (0.47) CA1CA2CA9CA7SMN1; SMN2
SCHEMBL2492402 0.87 SIRT2 (0.52) CA1CA2CA9CA7SMN1; SMN2
SCHEMBL2492401 0.87 SIRT2 (0.52) CA1CA2CA9CA7SMN1; SMN2
SCHEMBL11565718 0.82 KMT2A (0.41) CA1CA2CA9CA7SMN1; SMN2
SCHEMBL2494211 0.79 SMN1; SMN2 (0.55) CA1CA2CA9SMN1; SMN2LMNA
SCHEMBL2494214 0.79 SMN1; SMN2 (0.55) CA1CA2CA9SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030382-B2 Polylactic acid composition TEIJIN LIMITED (JP) 2011-10-04 US disclosed
US-20100093888-A1 POLYLACTIC ACID COMPOSITION TEIJIN LIMITED (JP) 2010-04-15 US disclosed
EP-2116576-A1 POLYLACTIC ACID COMPOSITION Teijin Limited (JP) 2009-11-11 EP disclosed