SCHEMBL9017180

SCHEMBL9017180

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.40
P2RX4 Q99571 2/20 0.40
P2RX3 P56373 1/20 0.40
BCHE P06276 1/20 0.36
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GRM2 Q14416 1/20 0.30
EGFR P00533 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
SCHEMBL9017133 0.95 P2RX4 (0.36) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL9017114 0.90 P2RX4 (0.38) P2RX1P2RX4P2RX3BCHENPSR1
SCHEMBL9017062 0.86 P2RX4 (0.50) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL9017064 0.86 P2RX4 (0.50) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL9017053 0.85 P2RX1 (0.39) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL9017137 0.81 P2RX4 (0.45) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL9017140 0.81 P2RX4 (0.45) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL8465092 0.81 KMT2A (0.37) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL8465090 0.81 KMT2A (0.37) P2RX1P2RX4P2RX3BCHETP53
SCHEMBL9017132 0.80 P2RX4 (0.35) P2RX1P2RX4P2RX3BCHETP53

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