SCHEMBL8304141

SCHEMBL8304141

CCN(C(=O)n1nnn(-c2c(C)nn(Cc3ccccc3)c2C)c1=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8308222 0.83 POLB (0.50) POLBPTGDR2MEN1KMT2AGAA
SCHEMBL12116006 0.82 ALDH1A1 (0.35) L3MBTL1MEN1KMT2AGAANPC1
SCHEMBL9283536 0.81 POLB (0.45) POLBPTGDR2MEN1KMT2AGAA
SCHEMBL8302567 0.80 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ANPC1ALDH1A1
SCHEMBL12115838 0.80 L3MBTL1 (0.41) L3MBTL1MEN1KMT2ANPC1LMNA
SCHEMBL12115670 0.80 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AGAALMNA
SCHEMBL8903104 0.80 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AGAALMNA
SCHEMBL12115740 0.79 L3MBTL1 (0.40) L3MBTL1MEN1KMT2ANPC1LMNA
SCHEMBL8905059 0.78 RXFP1 (0.38) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8619412 0.78 RXFP1 (0.38) L3MBTL1MEN1KMT2AALDH1A1

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