SCHEMBL8302038

SCHEMBL8302038

COC(=O)ON=Cc1cc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.35
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.32
FAAH O00519 1/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.30
PLA2G7 Q13093 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 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
SCHEMBL8302035 1.00 MIF (0.35) MIFGAARAB9AFAAHNPC1
SCHEMBL8302197 0.85 ALDH1A1 (0.36) MIFKDM4ELMNAMAPTPLA2G7
SCHEMBL8302198 0.85 ALDH1A1 (0.36) MIFKDM4ELMNAMAPTPLA2G7
SCHEMBL8301545 0.84 TDP1 (0.37) GAARAB9AFAAHNPC1MEN1
SCHEMBL8301543 0.84 TDP1 (0.37) GAARAB9AFAAHNPC1MEN1
SCHEMBL8307303 0.78
SCHEMBL8307299 0.78
SCHEMBL8305288 0.75 PLK1 (0.49) RAB9ANPC1KDM4ELMNAMEN1
SCHEMBL8305287 0.75 PLK1 (0.49) RAB9ANPC1KDM4ELMNAMEN1
SCHEMBL8304607 0.73 GPR55 (0.42) RAB9ANPC1KDM4EALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948485-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP claimed
WO-1998028278-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO claimed