SCHEMBL9798362

SCHEMBL9798362

O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccncc3)cc2)cc1)c1ccncc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.79
MAPK1 P28482 6/20 0.67
KDM4E B2RXH2 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HTT P42858 3/20 0.66
TSHR P16473 1/20 0.65
HDAC1 Q13547 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
LMNA P02545 7/20 0.61
RAB9A P51151 3/20 0.61
TP53 P04637 2/20 0.61
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HPGD P15428 2/20 0.61
JAK2 O60674 1/20 0.61
TYK2 P29597 1/20 0.61

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
SCHEMBL30828589 0.95 GAA (0.70) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL19242053 0.89 GAA (1.00) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL8254844 0.86 GAA (0.73) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL7087581 0.86 GAA (0.73) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL8866653 0.85 GAA (0.71) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL8866646 0.85 GAA (0.71) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL1898755 0.85 GAA (0.91) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL23291297 0.83 GAA (0.69) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL19241697 0.83 GAA (0.88) GAAMAPK1KDM4EL3MBTL1HTT
SCHEMBL5154816 0.81 PTPN1 (0.69) MAPK1KDM4ELMNARAB9ANPC1

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
EP-0163854-B1 PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS BAYER AG (DE) 1991-02-27 EP disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 EP disclosed