SCHEMBL9017066

SCHEMBL9017066

CCN(CC)C(=O)n1nnn(-c2ccccc2Br)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.48
P2RX1 P51575 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTBP1 P26599 1/20 0.43
P2RX3 P56373 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 1/20 0.43
POLB P06746 2/20 0.42
BCHE P06276 1/20 0.42
ATM Q13315 1/20 0.42
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSPO P30536 1/20 0.35
TSHR P16473 3/20 0.35
CDC25B P30305 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9017068 1.00 P2RX4 (0.48) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL9017137 0.93 P2RX4 (0.45) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL9017140 0.93 P2RX4 (0.45) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL9017062 0.90 P2RX4 (0.50) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL9017064 0.90 P2RX4 (0.50) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL6816393 0.86 P2RX4 (0.50) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL6816570 0.86 P2RX4 (0.50) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL9017114 0.85 P2RX4 (0.38) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL8464658 0.84 P2RX4 (0.48) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3
SCHEMBL8464656 0.84 P2RX4 (0.48) P2RX4P2RX1SMN1; SMN2PTBP1P2RX3

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