SCHEMBL20205569

SCHEMBL20205569

CC(=NOCc1c(C)cccc1N(N)C(=O)N(C)N)OCCCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
ALOX5 P09917 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL23678093 0.97 LMNA (0.39) MTNR1AMTNR1BLMNANPC1RECQL
SCHEMBL20205577 0.94 L3MBTL1 (0.33) MTNR1AMTNR1BLMNANPC1RAB9A
SCHEMBL20205906 0.89 ALDH1A1 (0.37) NPC1RAB9APPARGPPARATDP1
SCHEMBL23678352 0.89 MTNR1A (0.36) MTNR1AMTNR1BLMNAPPARGPPARA
SCHEMBL20205578 0.87 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2PPARGPPARA
SCHEMBL20205536 0.86 LMNA (0.38) MTNR1AMTNR1BLMNANPC1RECQL
SCHEMBL20205492 0.83 MAOB (0.34) LMNASMN1; SMN2L3MBTL1
SCHEMBL23678275 0.82 P2RX7 (0.33) MTNR1AMTNR1BLMNANPC1RECQL
SCHEMBL23678391 0.81 MAOA (0.35) NPC1RAB9APPARGPPARATDP1
SCHEMBL20205501 0.75 NPC1 (0.31) NPC1RAB9APPARGPPARAL3MBTL1

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