SCHEMBL7991922

SCHEMBL7991922

CCOC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 6/20 0.45
ALOX5 P09917 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
RIPK2 O43353 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL7992024 0.92 AR (0.58) ARRAB9AGAAMAPTMEN1
SCHEMBL7977722 0.91 NPBWR1 (0.53) ARRAB9AGAAMAPTMEN1
SCHEMBL7992254 0.89 MAPT (0.54) ARRAB9AGAAMAPTALOX5
SCHEMBL7988441 0.88 AR (0.55) ARRAB9AGAAMAPTMEN1
SCHEMBL7989862 0.87 AR (0.54) ARRAB9AGAAMAPTMEN1
SCHEMBL28914603 0.87 AR (0.54) ARRAB9AGAAMAPTMEN1
SCHEMBL7988569 0.87 ALOX5 (0.48) RAB9AMAPTALOX5MEN1KMT2A
SCHEMBL7995187 0.86 AR (0.53) ARRAB9AGAAMAPTALOX5
SCHEMBL7989451 0.86 ALOX5 (0.58) RAB9AMAPTALOX5MEN1KMT2A
SCHEMBL7989950 0.86 MAPK13 (0.51) RAB9AGAAMAPTALOX5MEN1

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