SCHEMBL8307422

SCHEMBL8307422

COc1ccoc1-n1nn[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
CHRNA4 P43681 2/20 0.32
NFE2L2 Q16236 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8304017 0.80 GAA (0.34)
SCHEMBL5906062 0.72 MGLL (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL19719814 0.71 RAB9A (0.38) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL19643870 0.71 CYP2C9 (0.43) CYP2C9ALDH1A1
SCHEMBL8305979 0.70 KDM4E (0.34) CYP2C9HPGDLMNAKDM4E
SCHEMBL8309051 0.70 KEAP1 (0.33) CYP2C9ALDH1A1HPGDNFE2L2KDM4E
SCHEMBL8688652 0.70 OPRM1 (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL17950844 0.69 KMT2A (0.43) MEN1KMT2ACYP2C9ALDH1A1KDM4E
SCHEMBL15352472 0.69 TIPARP (0.41) MEN1KMT2ACYP2C9ALDH1A1HPGD
SCHEMBL9620476 0.69 ALDH1A1 (0.48) KMT2ACYP2C9ALDH1A1HPGDLMNA

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