SCHEMBL8302516

SCHEMBL8302516

COc1c(-n2nn[nH]c2=O)cnn1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8307507 0.80 PRMT5 (0.33) PRMT5WDR77ALDH1A1KDM4EGAA
SCHEMBL8306660 0.78 PRMT5 (0.34) PRMT5WDR77ALDH1A1
SCHEMBL8304992 0.73 NFE2L2 (0.32) NFE2L2
SCHEMBL8303651 0.70 CYP1A2 (0.33) PRMT5WDR77ALDH1A1
SCHEMBL8302489 0.70 NFE2L2 (0.32) NFE2L2
SCHEMBL8302486 0.69 BPTF (0.33) PRMT5WDR77ALDH1A1HPGDHTT
SCHEMBL5906062 0.69 MGLL (0.47) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL8599986 0.67 ALDH1A1 (0.37) NFE2L2ALDH1A1KDM4E
SCHEMBL17995129 0.67
SCHEMBL8307458 0.67 HTT (0.32) NFE2L2HTT

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-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed