SCHEMBL9017169

SCHEMBL9017169

CCCN(CC)C(=O)n1nnn(-c2ccccc2Cl)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.45
P2RX1 P51575 3/20 0.45
P2RX3 P56373 2/20 0.40
BCHE P06276 2/20 0.40
PDE4B Q07343 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PTBP1 P26599 1/20 0.36
P2RX7 Q99572 1/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
PDE11A Q9HCR9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL9017165 1.00 P2RX4 (0.45) P2RX4P2RX1P2RX3BCHEPDE4B
SCHEMBL8467356 0.95 P2RX4 (0.50) P2RX4P2RX1P2RX3BCHEPDE4B
SCHEMBL8467359 0.95 P2RX4 (0.50) P2RX4P2RX1P2RX3BCHEPDE4B
SCHEMBL18820796 0.93 LMNA (0.40) P2RX4P2RX1P2RX3PDE4BSMN1; SMN2
SCHEMBL8464658 0.93 P2RX4 (0.48) P2RX4P2RX1P2RX3BCHEPDE4B
SCHEMBL8464656 0.93 P2RX4 (0.48) P2RX4P2RX1P2RX3BCHEPDE4B
SCHEMBL12115994 0.87 P2RX1 (0.40) P2RX4P2RX1P2RX3BCHEPDE4B
SCHEMBL9017132 0.87 P2RX4 (0.35) P2RX4P2RX1P2RX3BCHEPDE4B
SCHEMBL12115979 0.87 P2RX4 (0.40) P2RX4P2RX1P2RX3BCHEPDE4B
SCHEMBL9017140 0.86 P2RX4 (0.45) P2RX4P2RX1P2RX3BCHESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578090-B1 Tetrazolinones as herbicides for use in a rice paddy BAYER AGROCHEM KK (JP) 1996-12-27 EP disclosed
US-5466660-A Tetrazolinones as herbicides for use in paddy NIHON BAYER AGROCHEM K.K. (JP) 1995-11-14 US disclosed
US-5347010-A Tetrzolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0578090-A2 Tetrazolinones as herbicides for use in a rice paddy NIHON BAYER AGROCHEM K.K. (JP) 1994-01-12 EP disclosed