SCHEMBL22563891

SCHEMBL22563891

CCOc1cccc(N(N)C(=O)NN)c1COc1ccn(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.37
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.33
ELOVL1 Q9BW60 1/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DGAT1 O75907 1/20 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
SCHEMBL22564003 0.92 ALDH1A1 (0.39) NR1H4ALDH1A1KDM4EGAAMAPT
SCHEMBL22564358 0.91 NPSR1 (0.34) NR1H4ALDH1A1KDM4EGAAMAPT
SCHEMBL22564091 0.88 NR1H4 (0.38) NR1H4TSHRALDH1A1KDM4EGAA
SCHEMBL22563936 0.84 KMT2A (0.37) NR1H4ALDH1A1KDM4EGAAMAPT
SCHEMBL19909894 0.84 CTDSP1 (0.42) NR1H4ALDH1A1KDM4EGAAMAPT
SCHEMBL22563903 0.83 CTSD (0.34) NR1H4TSHRALDH1A1KDM4EMAPT
SCHEMBL22563771 0.81 NR1H4 (0.33) NR1H4ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL22563751 0.81 KDM4E (0.34) NR1H4ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL22564023 0.80 ALDH1A1 (0.34) NR1H4TSHRALDH1A1KDM4EMAPT
SCHEMBL19909882 0.80 NR1H4 (0.33) NR1H4ALDH1A1HTTLMNASMN1; SMN2

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