SCHEMBL20205577

SCHEMBL20205577

CC(=NOCc1c(C)cccc1N(N)C(=O)N(C)N)OCCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MGLL Q99685 1/20 0.32
AKR1B10 O60218 3/20 0.32
AKR1B1 P15121 3/20 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 0.95 LMNA (0.39) L3MBTL1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20205569 0.94 MTNR1A (0.38) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL20205906 0.91 ALDH1A1 (0.37) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL20205578 0.89 L3MBTL1 (0.35) L3MBTL1NPC1RAB9AALDH1A1HPGD
SCHEMBL23678275 0.88 P2RX7 (0.33) L3MBTL1ESR1ESR2NPC1RAB9A
SCHEMBL20205492 0.85 MAOB (0.34) L3MBTL1ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL20205536 0.84 LMNA (0.38) NPC1RAB9ACYP3A4SMN1; SMN2TDP1
SCHEMBL23678352 0.83 MTNR1A (0.36) LMNAMTNR1AMTNR1B
SCHEMBL23678391 0.82 MAOA (0.35) L3MBTL1NPC1RAB9AALDH1A1TSHR
SCHEMBL20205501 0.76 NPC1 (0.31) L3MBTL1NPC1RAB9A

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