SCHEMBL7977720

SCHEMBL7977720

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.52
PTPN11 Q06124 1/20 0.48
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 7/20 0.47
PTGS2 P35354 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CHEK2 O96017 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOB P27338 2/20 0.43
NPBWR1 P48145 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 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 0.93 AR (0.58) ARGAARAB9AMAPTMEN1
SCHEMBL7988102 0.92 MAPT (0.54) ARPTPN11GAARAB9AMAPT
SCHEMBL7988441 0.90 AR (0.55) ARGAARAB9AMAPTMEN1
SCHEMBL28914603 0.89 AR (0.54) ARGAARAB9AMAPTMEN1
SCHEMBL7991748 0.89 CHEK2 (0.50) GAARAB9AMAPTPTGS2CHEK2
SCHEMBL7989862 0.89 AR (0.54) ARGAARAB9AMAPTMEN1
SCHEMBL7988260 0.89 MAPT (0.51) ARGAARAB9AMAPTMEN1
SCHEMBL7991878 0.89 AR (0.49) ARPTPN11GAARAB9AMAPT
SCHEMBL7992254 0.88 MAPT (0.54) ARGAARAB9AMAPTMEN1
SCHEMBL7995187 0.88 AR (0.53) ARPTPN11GAARAB9AMAPT

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