SCHEMBL7698064

SCHEMBL7698064

CC(C)(C)c1ccc(-c2nc(C(=O)O)c(-c3ccc([N+](=O)[O-])cc3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.51
MAPT P10636 8/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
MMP8 P22894 4/20 0.42
MMP13 P45452 4/20 0.42
RAB9A P51151 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPBWR1 P48145 1/20 0.42
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL7695426 0.85 GAA (0.49) IKBKBMAPTKMT2AMEN1L3MBTL1
SCHEMBL7693990 0.81 IKBKB (0.53) IKBKBMAPTKMT2AMEN1RAB9A
SCHEMBL7693745 0.81 IKBKB (0.53) IKBKBMAPTALDH1A1NR1H4NOTUM
SCHEMBL7695239 0.79 MAPT (0.55) IKBKBMAPTKMT2AMEN1RAB9A
SCHEMBL7699894 0.79 IKBKB (0.54) IKBKBMAPTKMT2AMEN1RAB9A
SCHEMBL7991876 0.76 NPBWR1 (0.59) MAPTKMT2AMEN1L3MBTL1MMP2
SCHEMBL29158639 0.75 GAA (0.48) IKBKBMAPTKMT2AMEN1RAB9A
SCHEMBL7694372 0.74 TARBP2 (0.48) IKBKBMAPTKMT2AMEN1RAB9A
SCHEMBL7699591 0.74 TARBP2 (0.62) MAPTKMT2ARAB9AALDH1A1
SCHEMBL7695157 0.74 IKBKB (0.48) IKBKBMAPTKMT2ARAB9AALDH1A1

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed