SCHEMBL9730218

SCHEMBL9730218

O=c1[nH]nnn1-c1ccc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
AOC3 Q16853 2/20 0.37
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
P2RX7 Q99572 2/20 0.33
CCR2 P41597 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
DRD4 P21917 1/20 0.33
GRM2 Q14416 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL8599860 0.84 TLR8 (0.49) TLR8KDM4EHTT
SCHEMBL16303987 0.84 L3MBTL1 (0.42) MAPK11MAPK14
SCHEMBL8977258 0.82 MAPT (0.44) TLR8KDM4EHTT
SCHEMBL10521272 0.81 AOC3 (0.33) AOC3DRD4GRM2
SCHEMBL27148480 0.81 AKR1B1 (0.38) CCR2CCR1
SCHEMBL19554366 0.79 CTDSP1 (0.49) TLR8
SCHEMBL1943803 0.78 MEN1 (0.39) TLR8P2RX7MAPK14
SCHEMBL5906106 0.77 MEN1 (0.47) KDM4E
SCHEMBL10418812 0.77 ALDH1A1 (0.50) HTT
SCHEMBL1943984 0.75 MEN1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5136868-A HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1992-08-11 US disclosed
US-4868321-A FOR HERBICIDES FMC CORPORATION (US) 1989-09-19 US disclosed
EP-0252982-A4 HERBICIDAL 1-ARYL-4-SUSTITUTTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1988-08-17 EP disclosed
EP-0252982-A1 HERBICIDAL 1-ARYL-4-SUSTITUTTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1988-01-20 EP disclosed
WO-1987003873-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1987-07-02 WO disclosed