SCHEMBL14044459

SCHEMBL14044459

CCc1cc2sc3ccccc3c(=O)c2cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.43
CYP19A1 P11511 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
HCRTR1 O43613 1/20 0.38
LMNA P02545 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 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
SCHEMBL29350326 0.82 KDM4E (0.56) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL483616 0.82 KDM4E (0.56) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL8980932 0.76 GABRP (0.46) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL27503798 0.75 MAPT (0.45) MAPTALDH1A1KDM4EL3MBTL1RAB9A
Ethane SCHEMBL27503799 0.74 CTSV (0.49) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL472542 0.74 KDM4E (0.57) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL8086574 0.74 CTSV (0.51) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL29724161 0.74 KDM4E (0.57) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL5019890 0.74 KDM4E (0.69) MAPTALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL14491370 0.72 ALDH1A1 (0.38) MAPTALDH1A1KDM4EL3MBTL1RAB9A

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-7432368-B2 Nucleosides with nitro-substituted anthraquin(thi)one, acridin(thi)one, xanthone or xanthione, or thioxanthone or thioxanthione, e.g., 5'-[2-nitro-9-oxo-3-(2-propyloxacarbonyl)thioxanthone]thymidine; used for synthesizing oligonucleotides or nucleic acid chips using light with wavelength above 390 mm ROCHE NIMBLEGEN, INC. (US) 2008-10-07 US disclosed
EP-1589024-B1 Photolabile protecting groups NIMBLEGEN SYSTEMS INC (US) 2007-06-20 EP disclosed