SCHEMBL9017133

SCHEMBL9017133

CCCN(CC)C(=O)n1nnn(-c2c(Br)cccc2Br)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.36
P2RX1 P51575 3/20 0.36
P2RX3 P56373 2/20 0.36
NPSR1 Q6W5P4 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
PTBP1 P26599 1/20 0.32
P2RX7 Q99572 1/20 0.32
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.30
ADRA1A P35348 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL9017180 0.95 P2RX1 (0.40) P2RX4P2RX1P2RX3NPSR1SMN1; SMN2
SCHEMBL9017114 0.92 P2RX4 (0.38) P2RX4P2RX1P2RX3NPSR1SMN1; SMN2
SCHEMBL9017140 0.87 P2RX4 (0.45) P2RX4P2RX1P2RX3NPSR1SMN1; SMN2
SCHEMBL9017137 0.87 P2RX4 (0.45) P2RX4P2RX1P2RX3NPSR1SMN1; SMN2
SCHEMBL9017132 0.85 P2RX4 (0.35) P2RX4P2RX1P2RX3TSHRTP53
SCHEMBL9017062 0.81 P2RX4 (0.50) P2RX4P2RX1P2RX3NPSR1SMN1; SMN2
SCHEMBL9017064 0.81 P2RX4 (0.50) P2RX4P2RX1P2RX3NPSR1SMN1; SMN2
SCHEMBL9017057 0.81 KMT2A (0.36) P2RX4P2RX1TSHRTP53KMT2A
SCHEMBL9017056 0.81 KMT2A (0.36) P2RX4P2RX1TSHRTP53KMT2A
SCHEMBL9017053 0.80 P2RX1 (0.39) P2RX4P2RX1P2RX3NPSR1SMN1; 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