SCHEMBL9017137

SCHEMBL9017137

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 6/20 0.45
P2RX1 P51575 3/20 0.45
P2RX3 P56373 2/20 0.40
BCHE P06276 2/20 0.40
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
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
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
APLNR P35414 1/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9017140 1.00 P2RX4 (0.45) P2RX4P2RX1P2RX3BCHESLC5A1
SCHEMBL9017064 0.95 P2RX4 (0.50) P2RX4P2RX1P2RX3BCHESLC5A1
SCHEMBL9017062 0.95 P2RX4 (0.50) P2RX4P2RX1P2RX3BCHESLC5A1
SCHEMBL9017068 0.93 P2RX4 (0.48) P2RX4P2RX1P2RX3BCHESLC5A1
SCHEMBL9017066 0.93 P2RX4 (0.48) P2RX4P2RX1P2RX3BCHESLC5A1
SCHEMBL9017133 0.87 P2RX4 (0.36) P2RX4P2RX1P2RX3BCHESMN1; SMN2
SCHEMBL9017165 0.86 P2RX4 (0.45) P2RX4P2RX1P2RX3BCHESMN1; SMN2
SCHEMBL9017169 0.86 P2RX4 (0.45) P2RX4P2RX1P2RX3BCHESMN1; SMN2
SCHEMBL9017180 0.81 P2RX1 (0.40) P2RX4P2RX1P2RX3BCHESMN1; SMN2
SCHEMBL8467359 0.81 P2RX4 (0.50) 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