SCHEMBL22563772

SCHEMBL22563772

Cc1ccccc1-n1ccc(OCc2c(C)cccc2N(N)C(=O)NN)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
CACNA2D1 P54289 2/20 0.31
FFAR1 O14842 1/20 0.31
SGMS2 Q8NHU3 1/20 0.31
ACKR3 P25106 1/20 0.30
OPRM1 P35372 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
SCHEMBL22563773 0.92 KLKB1 (0.32) KDM4EALDH1A1MAPTCACNA2D1
SCHEMBL22564161 0.92 NR1H4 (0.37) KDM4EALDH1A1MAPTNR1H4FFAR1
SCHEMBL22563775 0.92 ALDH1A1 (0.31) KDM4EALDH1A1MAPTNR1H4
SCHEMBL22564364 0.92 KMT2A (0.34) KDM4EALDH1A1MAPTSGMS2
SCHEMBL22564091 0.91 NR1H4 (0.38) KDM4EALDH1A1MAPTNR1H4CACNA2D1
SCHEMBL22564153 0.91 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL20844961 0.88 P2RX7 (0.32) KDM4EALDH1A1MAPT
SCHEMBL19909882 0.87 NR1H4 (0.33) ALDH1A1NR1H4
SCHEMBL20902007 0.87 ALDH1A1 (0.41) KDM4EALDH1A1MAPTNR1H4
SCHEMBL22563918 0.86 SIGMAR1 (0.40) KDM4EMAPTNR1H4

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