SCHEMBL8825191

SCHEMBL8825191

CCOC(=O)c1noc(-c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
TP53 P04637 4/20 0.48
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 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
SCHEMBL2573799 0.86 OPRK1 (0.43) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL8825355 0.78 RAB9A (0.54) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL8825286 0.78 ALDH1A1 (0.61) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL893056 0.77 HDAC1 (0.57) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL6367373 0.76 MAPT (0.59) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL17499989 0.75 PTGS1 (0.47) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL10745473 0.74 ALDH1A1 (0.59) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL5207288 0.74 MAPT (0.57) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL11509023 0.73 ALDH1A1 (0.48) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL14600789 0.73 MAPT (0.55) MAPTALDH1A1NPC1RAB9AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622976-A NERVOUS SYSTEM DISORDERS; ALZHEIMER*S DISEASE; CEREBROVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0619814-A1 OXADIAZOLE DERIVATIVES HAVING ACETYLCHOLINESTERASE-INHIBITORY AND MUSCARINIC AGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
WO-1993013083-A1 OXADIAZOLE DERIVATIVES HAVING ACETYLCHOLINESTERASE-INHIBITORY AND MUSCARINIC AGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed