SCHEMBL8977311

SCHEMBL8977311

CCCN(C(=O)n1nnn(-c2ccccc2C)c1=O)C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.38
P2RX1 P51575 2/20 0.38
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX3 P56373 1/20 0.34
HSD11B1 P28845 1/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.33
SMO Q99835 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL8977315 1.00 P2RX4 (0.38) P2RX4P2RX1ALDH1A1L3MBTL1MEN1
SCHEMBL9017372 0.88 P2RX1 (0.38) P2RX4P2RX1ALDH1A1MEN1KMT2A
SCHEMBL9017368 0.88 P2RX1 (0.38) P2RX4P2RX1ALDH1A1MEN1KMT2A
SCHEMBL9017130 0.83 KMT2A (0.37) ALDH1A1KMT2AMAPK1PDE4APDE4B
SCHEMBL9017127 0.83 KMT2A (0.37) ALDH1A1KMT2AMAPK1PDE4APDE4B
SCHEMBL12118956 0.78 P2RX4 (0.39) P2RX4P2RX1ALDH1A1L3MBTL1MEN1
SCHEMBL9620394 0.78 P2RX4 (0.49) P2RX4P2RX1ALDH1A1L3MBTL1MEN1
SCHEMBL9619864 0.76 SLC5A1 (0.41) P2RX4P2RX1ALDH1A1
SCHEMBL9620373 0.75 SMN1; SMN2 (0.43) P2RX4ALDH1A1MEN1PKMKMT2A
SCHEMBL9017064 0.71 P2RX4 (0.50) P2RX4P2RX1MEN1PKMKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed