SCHEMBL20205536

SCHEMBL20205536

CC(=NOCc1c(C)cccc1N(C)N)OCCCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
AOC3 Q16853 1/20 0.35
IDO1 P14902 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AKR1B10 O60218 2/20 0.33
AKR1B1 P15121 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
CTDSP1 Q9GZU7 2/20 0.32
CYP2D6 P10635 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP12 P39900 1/20 0.32
P2RX7 Q99572 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL23678352 0.97 MTNR1A (0.36) LMNAAOC3MTNR1AMTNR1B
SCHEMBL23678275 0.94 P2RX7 (0.33) LMNAAOC3MTNR1AMTNR1BAKR1B10
SCHEMBL23678093 0.89 LMNA (0.39) LMNAMTNR1AMTNR1BAKR1B10AKR1B1
SCHEMBL20205569 0.86 MTNR1A (0.38) LMNAMTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL20205577 0.84 L3MBTL1 (0.33) LMNAMTNR1AMTNR1BAKR1B10AKR1B1
SCHEMBL23678393 0.83 NLRP3 (0.30)
SCHEMBL20205772 0.80 CYP3A4 (0.38) AOC3IDO1NPC1RAB9AMMP1
SCHEMBL20205906 0.78 ALDH1A1 (0.37) NPC1RAB9ATDP1POLBKMT2A
SCHEMBL20205578 0.76 L3MBTL1 (0.35) SMN1; SMN2NPC1RAB9ACYP2D6KMT2A
SCHEMBL23678139 0.75 ALDH1A1 (0.36) SMN1; SMN2NPC1RAB9APOLB

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