SCHEMBL6437170

SCHEMBL6437170

CCOC(=O)c1ccncc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PDE4B Q07343 2/20 0.47
PDE4D Q08499 2/20 0.47
CACNA1F O60840 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47

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
SCHEMBL2898125 0.87 SLC6A4 (0.51) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6432453 0.81 SMN1; SMN2 (0.54) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL21056853 0.80 ALDH1A1 (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL9787350 0.79 MEN1 (0.55) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6433000 0.77 MAPT (0.60) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL21199844 0.76 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL30521049 0.76 MAPT (0.54) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6085823 0.76 MAPT (0.62) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8396903 0.76 FOS (0.63) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL11400231 0.75 MAPT (0.55) MAPTALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 WO disclosed