SCHEMBL9017112

SCHEMBL9017112

CCc1cccc(Cl)c1-n1nnn(C(=O)N(CC)CC)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.34
LMNA P02545 2/20 0.33
ANPEP P15144 1/20 0.33
DPP4 P27487 1/20 0.33
PTBP1 P26599 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
P2RX7 Q99572 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL9017110 1.00 P2RX4 (0.34) P2RX4LMNAANPEPDPP4PTBP1
SCHEMBL6816374 0.92 P2RX4 (0.37) P2RX4LMNAPTBP1P2RX1P2RX3
SCHEMBL8464962 0.88 KMT2A (0.39) P2RX4LMNAPTBP1P2RX1P2RX3
SCHEMBL8464960 0.88 KMT2A (0.39) P2RX4LMNAPTBP1P2RX1P2RX3
SCHEMBL9017132 0.85 P2RX4 (0.35) P2RX4LMNAP2RX1P2RX3TP53
SCHEMBL9017053 0.82 P2RX1 (0.39) P2RX4P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL9017057 0.81 KMT2A (0.36) P2RX4LMNAP2RX1TP53KMT2A
SCHEMBL9017056 0.81 KMT2A (0.36) P2RX4LMNAP2RX1TP53KMT2A
SCHEMBL8464658 0.81 P2RX4 (0.48) P2RX4LMNAPTBP1P2RX1P2RX3
SCHEMBL8464656 0.81 P2RX4 (0.48) P2RX4LMNAPTBP1P2RX1P2RX3

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