SCHEMBL8309370

SCHEMBL8309370

CN(C)C(=O)n1nnn(-c2nccn2Cc2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.42
ALDH1A1 P00352 1/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
EGLN1 Q9GZT9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 2/20 0.38
FDPS P14324 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8308330 0.87 LMNA (0.39) ALDH1A1OPRD1OPRK1MEN1KMT2A
SCHEMBL8308222 0.71 POLB (0.50) DAGLAALDH1A1MEN1KMT2ANPC1
SCHEMBL8307903 0.71 NOTUM (0.48) DAGLAALDH1A1MEN1KMT2ANPC1
SCHEMBL8304509 0.70 HSD17B10 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL7753134 0.70 P2RX4 (0.44) DAGLAALDH1A1
SCHEMBL7753136 0.70 P2RX4 (0.44) DAGLAALDH1A1
SCHEMBL19925227 0.66 BRD4 (0.52) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL12115401 0.66 NPC1 (0.43) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1345858 0.66 RAB9A (0.58) ALDH1A1OPRD1OPRK1MEN1KMT2A
SCHEMBL418384 0.65 RAB9A (0.57) ALDH1A1OPRD1OPRK1MEN1KMT2A

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