SCHEMBL7991834

SCHEMBL7991834

O=C(O)c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.61
MAPT P10636 3/20 0.61
ALOX5 P09917 3/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 2/20 0.61
MAPK13 O15264 2/20 0.61
LMNA P02545 2/20 0.61
MAPK12 P53778 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK11 Q15759 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
RIPK2 O43353 1/20 0.61
GMNN O75496 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
THRB P10828 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 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
SCHEMBL7977743 0.93 MAPT (0.54) MAPK14MAPTALOX5RAB9AMEN1
SCHEMBL7988654 0.90 MMP2 (0.57) MAPK14MAPTALOX5RAB9AMEN1
SCHEMBL7977732 0.87 MAPT (0.56) MAPK14MAPTALOX5RAB9AMEN1
SCHEMBL7977380 0.87 MEN1 (0.56) MAPK14MAPTALOX5RAB9AMEN1
SCHEMBL7988678 0.87 MAPK14 (0.61) MAPK14MAPTALOX5RAB9AMEN1
SCHEMBL7989517 0.86 MAPT (0.49) MAPK14MAPTALOX5RAB9AMEN1
SCHEMBL7977701 0.84 MAPT (0.59) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL7991876 0.84 NPBWR1 (0.59) MAPK14MAPTALOX5RAB9AMEN1
SCHEMBL7995167 0.83 MAPK14 (0.54) MAPK14MAPTALOX5RAB9AMEN1
SCHEMBL7992089 0.82 MAPK14 (0.62) MAPK14ALOX5MAPK13MAPK12MAPK11

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