SCHEMBL20205785

SCHEMBL20205785

CCC(=NN=C(C)c1nc2ccccc2n1C)OCc1c(C)cccc1N(N)C(=O)N(C)N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.31
KLK5 Q9Y337 1/20 0.30
ALDH1A1 P00352 3/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL23678145 0.90 SMN1; SMN2 (0.36) SMN1; SMN2LMNAHTTRECQLRAB9A
SCHEMBL20205532 0.85 SLC9A1 (0.35) SMN1; SMN2KDM4E
SCHEMBL20205487 0.82 MEN1 (0.36) SMN1; SMN2HTTRAB9ANPC1MAPT
SCHEMBL23678258 0.82 SMN1; SMN2 (0.37) SMN1; SMN2LMNAHTTRECQLRAB9A
SCHEMBL20205663 0.80
SCHEMBL23678154 0.80 TSHR (0.31) TSHR
SCHEMBL23678403 0.80 LMNA (0.31) LMNARAB9A
SCHEMBL20205434 0.79 ADORA2A (0.31)
SCHEMBL20205513 0.79
SCHEMBL23678116 0.79

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
WO-2018097318-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-31 WO disclosed