SCHEMBL8697678

SCHEMBL8697678

COc1c(OS(C)(=O)=O)ccc(C(=O)OC2=CC(=O)C3CCC2C3)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8695352 0.80 PKM (0.36) KMT2APKMHTTALDH1A1LMNA
SCHEMBL8696566 0.75 PKM (0.56) KMT2ASMN1; SMN2PKMALDH1A1MEN1
SCHEMBL4653029 0.75 ALDH1A1 (0.37) KMT2AHTTALDH1A1MEN1NPC1
SCHEMBL9738558 0.74 KMT2A (0.34) KMT2ASMN1; SMN2PKMALDH1A1MEN1
SCHEMBL8698297 0.72 TXNRD1 (0.43) KMT2AALDH1A1MEN1NPC1MAPT
SCHEMBL8699992 0.71 MAPT (0.33) KMT2ASMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL8698410 0.69 HPGD (0.43) KMT2ASMN1; SMN2PKMALDH1A1MEN1
SCHEMBL9738378 0.69 PKM (0.36) KMT2APKMALDH1A1MEN1LMNA
SCHEMBL6099839 0.68 THRB (0.32)
SCHEMBL14040678 0.67 TSHR (0.52) KMT2ASMN1; SMN2PKMHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801120-A HERBICIDES FOR CONTROLLING WEEDS SANDOZ LTD. (CH) 1998-09-01 US disclosed
US-5700762-A HERBICIDES SANDOZ LTD. (CH) 1997-12-23 US disclosed
US-5608101-A HERBICIDES NOVARTIS AG (CH) 1997-03-04 US disclosed
EP-0338992-A2 Substituted aryl and heteroaryl bicyclodiones SANDOZ AG (CH) 1989-10-25 EP disclosed