SCHEMBL7991863

SCHEMBL7991863

CCOC(=O)c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 4/20 0.49
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
ALOX5 P09917 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7991934 0.90 MAPT (0.52) MAPTALDH1A1MMP13MMP2MMP9
SCHEMBL7995168 0.89 MAPT (0.51) MAPTALDH1A1MMP13MMP2MMP9
SCHEMBL7988260 0.89 MAPT (0.51) MAPTALDH1A1MMP13MMP2MMP9
SCHEMBL7992254 0.89 MAPT (0.54) MAPTALDH1A1MMP13MMP2MMP9
SCHEMBL7991879 0.85 MAPT (0.51) MAPTALDH1A1MMP13MMP2MMP9
SCHEMBL7978081 0.84 MAPT (0.52) MAPTALDH1A1MMP13MMP2MMP9
SCHEMBL7989862 0.83 AR (0.54) MAPTALDH1A1MMP2MMP9MMP8
SCHEMBL28914603 0.83 AR (0.54) MAPTALDH1A1MMP2MMP9MMP8
SCHEMBL7992024 0.83 AR (0.58) MAPTMMP13MMP2MMP9MMP8
SCHEMBL7988441 0.80 AR (0.55) MAPTALDH1A1MMP13MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed