SCHEMBL8599860

SCHEMBL8599860

O=c1[nH]nnn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.49
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
ALOX12 P18054 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
OPRM1 P35372 2/20 0.42
HCAR1 Q9BXC0 1/20 0.41
RPA1 P27694 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8977258 0.88 MAPT (0.44) TLR8KDM4EHTTL3MBTL1MAPT
SCHEMBL9730218 0.84 TLR8 (0.38) TLR8KDM4EHTT
SCHEMBL1943803 0.84 MEN1 (0.39) TLR8KMT2AMEN1GAAMARS1
SCHEMBL19554366 0.82 CTDSP1 (0.49) TLR8ALDH1A1KMT2AMEN1MAPT
SCHEMBL9730328 0.81 HCAR1 (0.38) TLR8HCAR1NOTUM
SCHEMBL8599859 0.80 MARS1 (0.39) HTTL3MBTL1NPSR1ALDH1A1KMT2A
SCHEMBL1249223 0.80 L3MBTL1 (0.44) TLR8L3MBTL1LMNAALOX12NPSR1
SCHEMBL5905865 0.79 MGLL (0.43) KDM4EALDH1A1MAPTHCAR1CDK4
SCHEMBL19554375 0.77 LMNA (0.51) L3MBTL1LMNANPSR1ALDH1A1KMT2A
SCHEMBL9730122 0.77 GRIN2D (0.41) TLR8HTTL3MBTL1KMT2AHCAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058491-C Tetrazoline series compound with herbicide activity NIPPON BAYER PESTICIDE CO LTD (JP) 2000-11-15 CN disclosed
US-5767286-A REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE NIHON BAYER AGROCHEM K. K. (JP) 1998-06-16 US disclosed
EP-0646577-B1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1998-06-03 EP disclosed
EP-0643049-B1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones BAYER AGROCHEM KK (JP) 1997-05-14 EP disclosed
CN-1130182-A Tetrazoline series compound with herbicide activity NIPPON BAYER PESTICIDE CO LTD (JP) 1996-09-04 CN disclosed
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed
US-5502204-A REACTING WITH ETHYLENE OXIDE DERIVATIVE NIHON BAYER AGROCHEM K.K. (JP) 1996-03-26 US disclosed
EP-0646577-A1 Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-04-05 EP disclosed
EP-0643049-A1 A process for the preparation of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-03-15 EP disclosed