SCHEMBL22563952

SCHEMBL22563952

CN(N)C(=O)N(N)c1cccc(C2CC2)c1COc1ccn(-c2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.33
FAAH O00519 8/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA2D1 P54289 2/20 0.33
NR1H4 Q96RI1 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
CNR1 P21554 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRM1 P35372 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
SCHEMBL22563863 0.86 KDM4E (0.35) MGLLFAAHKDM4EL3MBTL1NR1H4
SCHEMBL22564429 0.85 NTSR1 (0.35) KMT2A
SCHEMBL22563751 0.85 KDM4E (0.34) MGLLFAAHKDM4EL3MBTL1NR1H4
SCHEMBL20845268 0.82 L3MBTL1 (0.37) MGLLFAAHKDM4EL3MBTL1SIGMAR1
SCHEMBL22563902 0.80 SIGMAR1 (0.32) NR1H4SIGMAR1
SCHEMBL19904119 0.79 ALDH1A1 (0.39) KDM4ENR1H4KCNH2SIGMAR1KMT2A
SCHEMBL22563990 0.79 NR1H4 (0.30) NR1H4KCNH2SIGMAR1
SCHEMBL19909876 0.79 SIGMAR1 (0.40) NR1H4KCNH2SIGMAR1
SCHEMBL22563757 0.78 KDM4E (0.33) KDM4ESIGMAR1OPRM1
SCHEMBL19909875 0.77 NR1H4 (0.37) KDM4ENR1H4KCNH2SIGMAR1KMT2A

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed