SCHEMBL9017057

SCHEMBL9017057

CCCN(CC)C(=O)n1nnn(-c2c(C)cccc2Cl)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ESR1 P03372 2/20 0.33
P2RX1 P51575 1/20 0.33
P2RX4 Q99571 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 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
SCHEMBL9017056 1.00 KMT2A (0.36) KMT2ALMNAHCRTR1HCRTR2ESR1
SCHEMBL8465090 0.95 KMT2A (0.37) KMT2ALMNAESR1P2RX1P2RX4
SCHEMBL8465092 0.95 KMT2A (0.37) KMT2ALMNAESR1P2RX1P2RX4
SCHEMBL9017170 0.94 HPGD (0.40) KMT2ALMNAGAAPOLBALDH1A1
SCHEMBL9017174 0.94 HPGD (0.40) KMT2ALMNAGAAPOLBALDH1A1
SCHEMBL8464960 0.93 KMT2A (0.39) KMT2ALMNAHCRTR1HCRTR2P2RX1
SCHEMBL8464962 0.93 KMT2A (0.39) KMT2ALMNAHCRTR1HCRTR2P2RX1
SCHEMBL9017132 0.93 P2RX4 (0.35) LMNAP2RX1P2RX4POLBALDH1A1
SCHEMBL9017053 0.88 P2RX1 (0.39) KMT2AP2RX1P2RX4TSHRTP53
SCHEMBL6816374 0.86 P2RX4 (0.37) KMT2ALMNAP2RX1P2RX4POLB

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