SCHEMBL8308222

SCHEMBL8308222

Cc1nn(Cc2ccccc2)c(C)c1-n1nnn(C(=O)N(C)C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.42
DAGLA Q9Y4D2 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9283536 0.87 POLB (0.45) POLBGAALMNANPC1KDM4E
SCHEMBL8304141 0.83 L3MBTL1 (0.43) POLBGAALMNANPC1KDM4E
SCHEMBL8307903 0.75 NOTUM (0.48) LMNANPC1KDM4EMEN1KMT2A
SCHEMBL8304600 0.72 POLB (0.49) POLBGAALMNANPC1KDM4E
SCHEMBL8309370 0.71 DAGLA (0.42) POLBLMNANPC1MEN1KMT2A
SCHEMBL7753136 0.69 P2RX4 (0.44) DAGLAALDH1A1
SCHEMBL7753134 0.69 P2RX4 (0.44) DAGLAALDH1A1
SCHEMBL8444618 0.68 POLB (1.00) POLBGAALMNANPC1KDM4E
SCHEMBL21333231 0.67 POLB (0.80) POLBGAALMNANPC1KDM4E
SCHEMBL8306338 0.66 NOTUM (0.45) POLBLMNANPC1KDM4EMEN1

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