SCHEMBL12636751

SCHEMBL12636751

CCOC(=O)c1c(C(C)(C)C)c(C(=O)OCC)n(-c2ccc([N+](=O)[O-])cc2)c1/N=N/c1c(C(C)(C)C)nn(-c2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 2/20 0.39
PDE4B Q07343 1/20 0.39
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL92444 0.82 MAPT (0.51) MAPTHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL91890 0.77 SMN1; SMN2 (0.51) MAPTHTTL3MBTL1ALDH1A1HPGD
SCHEMBL2623686 0.77 SMN1; SMN2 (0.51) MAPTHTTL3MBTL1ALDH1A1HPGD
SCHEMBL12636703 0.73 ALDH1A1 (0.44) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL92457 0.69 ALOX5 (0.52) MAPTHTTL3MBTL1ALDH1A1HPGD
SCHEMBL2623690 0.69 ALDH1A1 (0.48) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL14198998 0.67 PDE4B (0.51) MAPTHTTL3MBTL1ALDH1A1MEN1
SCHEMBL16692998 0.66 MAPT (0.61) ARMAPTHTTL3MBTL1ALDH1A1
SCHEMBL14198820 0.66 SMN1; SMN2 (0.72) MAPTHTTL3MBTL1ALDH1A1HPGD
SCHEMBL10568422 0.65 LMNA (0.61) MAPTALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947625-B2 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-20070202282-A1 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed