SCHEMBL9017053

SCHEMBL9017053

CCCN(CCC)C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.39
P2RX4 Q99571 2/20 0.39
P2RX3 P56373 1/20 0.37
BCHE P06276 1/20 0.36
TP53 P04637 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
AHR P35869 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9017132 0.95 P2RX4 (0.35) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL8465090 0.93 KMT2A (0.37) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL8465092 0.93 KMT2A (0.37) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL6816374 0.90 P2RX4 (0.37) P2RX1P2RX4P2RX3BCHEPDE4A
SCHEMBL9017057 0.88 KMT2A (0.36) P2RX1P2RX4TP53PDE4APDE4B
SCHEMBL9017056 0.88 KMT2A (0.36) P2RX1P2RX4TP53PDE4APDE4B
SCHEMBL8467356 0.86 P2RX4 (0.50) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL8467359 0.86 P2RX4 (0.50) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL9017180 0.85 P2RX1 (0.40) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL18413820 0.84 TP53 (0.40) TP53MEN1TSHRKMT2ASMN1; 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 8 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 claimed
US-5466660-A Tetrazolinones as herbicides for use in paddy NIHON BAYER AGROCHEM K.K. (JP) 1995-11-14 US claimed
US-5347010-A Tetrzolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US claimed
EP-0578090-A2 Tetrazolinones as herbicides for use in a rice paddy NIHON BAYER AGROCHEM K.K. (JP) 1994-01-12 EP claimed
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