SCHEMBL20205906

SCHEMBL20205906

C/C(=N\OCc1c(C)cccc1N(N)C(=O)N(C)N)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
KCNA5 P22460 1/20 0.32
PTPN1 P18031 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MAOB P27338 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
STAT1 P42224 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
SCHEMBL20205578 0.96 L3MBTL1 (0.35) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL23678391 0.91 MAOA (0.35) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL20205577 0.91 L3MBTL1 (0.33) ALDH1A1L3MBTL1RAB9ANPC1HPGD
SCHEMBL23678093 0.90 LMNA (0.39) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL20205492 0.90 MAOB (0.34) ALDH1A1L3MBTL1MAPTHPGDMAOB
SCHEMBL20205569 0.89 MTNR1A (0.38) L3MBTL1RAB9ANPC1TDP1PPARG
SCHEMBL23678139 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL20205501 0.80 NPC1 (0.31) L3MBTL1RAB9ANPC1PPARGPPARA
SCHEMBL20686592 0.78 PPARG (0.42) RAB9ANPC1PPARGPPARA
SCHEMBL20205536 0.78 LMNA (0.38) RAB9ANPC1KMT2ATDP1POLB

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