SCHEMBL7988441

SCHEMBL7988441

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.55
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
NPBWR1 P48145 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
MMP13 P45452 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.50
TARBP2 Q15633 1/20 0.47

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 0.96 AR (0.58) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL7989862 0.92 AR (0.54) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL28914603 0.92 AR (0.54) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL7992254 0.91 MAPT (0.54) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL7995187 0.91 AR (0.53) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL7988102 0.90 MAPT (0.54) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL7977720 0.90 AR (0.52) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL7991766 0.89 SIRT2 (0.53) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL7977722 0.89 NPBWR1 (0.53) ARMAPTRAB9ANPBWR1MMP2
SCHEMBL7991922 0.88 AR (0.50) ARMAPTRAB9ANPBWR1MMP2

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