SCHEMBL9666643

SCHEMBL9666643

O=C1COc2cc(F)c(-n3nc4c([n+]3[O-])CCCC4)cc2N1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
NR3C2 P08235 11/20 0.36
MMP12 P39900 1/20 0.36
DHODH Q02127 1/20 0.36
PKM P14618 1/20 0.35
PGR P06401 2/20 0.34
NR3C1 P04150 1/20 0.34
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
SLC6A4 P31645 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9664658 0.77 RORC (0.36) HTR1AHTR1DHTR1BSLC6A4
SCHEMBL9837061 0.74 MAPT (0.39) TP53MAPTTHRBNR3C2DHODH
SCHEMBL7968012 0.72 TP53 (0.42) PARP1TP53MAPTTHRBNR3C2
SCHEMBL9532622 0.70 MAPT (0.34) TP53MAPTMEN1KMT2A
SCHEMBL10491107 0.69 MAPT (0.46) PARP1TP53MAPTTHRBNR3C2
SCHEMBL10592084 0.69 NR3C2 (0.53) TP53MAPTTHRBNR3C2MMP12
SCHEMBL4049030 0.68 MMP12 (0.54) PARP1TP53MAPTTHRBNR3C2
SCHEMBL7556723 0.67 MMP12 (0.46) PARP1TP53MAPTTHRBNR3C2
SCHEMBL10482608 0.67 NR3C2 (0.43) TP53MAPTTHRBNR3C2MMP12
SCHEMBL9857876 0.66 PPOX (0.43) TP53MAPTPKM

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
EP-0305923-B1 BENZOXAZINYL-TRIAZOLE OXIDES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-29 EP disclosed
US-4885024-A HERBICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0305923-A1 Benzoxazinyl-triazole oxides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-03-08 EP disclosed