SCHEMBL7991766

SCHEMBL7991766

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
AR P10275 3/20 0.51
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 4/20 0.46
NPBWR1 P48145 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DGAT1 O75907 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
PRKCZ Q05513 1/20 0.41

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) ARGAARAB9AMAPTNPBWR1
SCHEMBL7988441 0.89 AR (0.55) ARGAARAB9AMAPTNPBWR1
SCHEMBL28914603 0.88 AR (0.54) ARGAARAB9AMAPTNPBWR1
SCHEMBL7989862 0.88 AR (0.54) ARGAARAB9AMAPTNPBWR1
SCHEMBL7992254 0.87 MAPT (0.54) ARGAARAB9AMAPTNPBWR1
SCHEMBL7995187 0.87 AR (0.53) SIRT2SIRT1ARGAARAB9A
SCHEMBL7988102 0.86 MAPT (0.54) ARGAARAB9AMAPTNPBWR1
SCHEMBL7977720 0.86 AR (0.52) ARGAARAB9AMAPTNPBWR1
SCHEMBL7977722 0.85 NPBWR1 (0.53) ARGAARAB9AMAPTNPBWR1
SCHEMBL7991922 0.84 AR (0.50) ARGAARAB9AMAPTNPBWR1

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