SCHEMBL4370043

SCHEMBL4370043

Cc1c(N=[N])c(=O)n(-c2ccccc2)n1CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
PTGS2 P35354 1/20 0.43
GAA P10253 8/20 0.42
ALDH1A1 P00352 8/20 0.42
MAPT P10636 8/20 0.42
MAPK1 P28482 4/20 0.42
MPI P34949 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
BLM P54132 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 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
SCHEMBL3118630 0.80 GAA (0.62) BCHEPTGS2GAAALDH1A1MAPT
SCHEMBL9514526 0.80 BCHE (0.63) BCHEPTGS2ALDH1A1KDM4EMEN1
SCHEMBL5433490 0.67 ALDH1A1 (0.54) BCHEPTGS2GAAALDH1A1MAPT
SCHEMBL6260403 0.67 BCHE (0.63) BCHEPTGS2ALDH1A1KDM4EMEN1
SCHEMBL3856402 0.65 GAA (0.64) BCHEPTGS2GAAALDH1A1MAPT
SCHEMBL17035229 0.65 BCHE (0.64) BCHEPTGS2ALDH1A1MAPTMAPK1
SCHEMBL9413452 0.65 BCHE (0.59) BCHEPTGS2ALDH1A1MAPTMAPK1
SCHEMBL17035227 0.65 BCHE (0.64) BCHEPTGS2GAAALDH1A1KDM4E
SCHEMBL23400437 0.64 BCHE (0.58) BCHEPTGS2KDM4EMEN1KMT2A
SCHEMBL13236554 0.64 ALDH1A1 (0.40) BCHEPTGS2GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625621-B2 Amino antipyrine based azo ligands and their metal complexes for use as optical recording media CLARIANT FINANCE (BVI) LIMITED (VG) 2009-12-01 US disclosed
US-20080317994-A1 Amino Antipyrine Based Azo Ligands and Their Metal Complexes for Use as Optical Recording Media CLARIANT FINANCE (BVI) LIMITED (VG) 2008-12-25 US disclosed
EP-1621584-B1 Amino antipyrine based azo ligands and their metal complexes for use as optical recording media CLARIANT FINANCE BVI LTD (VG) 2007-01-24 EP disclosed
WO-2006082229-A2 CATIONIC ANTIPYRINE BASED AZO METAL COMPLEX DYES FOR USE IN OPTICAL LAYERS FOR OPTICAL DATA RECORDING CLARIANT INTERNATIONAL LTD (CH) 2006-08-10 WO disclosed
WO-2006010773-A1 AMINO ANTIPYRINE BASED AZO LIGANDS AND THEIR METAL COMPLEXES FOR USE AS OPTICAL RECORDING MEDIA CLARIANT FINANCE (BVI) LIMITED (VG) 2006-02-02 WO disclosed
EP-1621584-A1 Amino antipyrine based azo ligands and their metal complexes for use as optical recording media Clariant International Ltd. (CH) 2006-02-01 EP disclosed