SCHEMBL9730449

SCHEMBL9730449

O=c1n(CCCF)nnn1-c1cc([N+](=O)[O-])c(Cl)cc1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TOP1 P11387 1/20 0.31
PGK1 P00558 1/20 0.30

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
SCHEMBL10520236 0.87 MAPT (0.33) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL7889687 0.86 MAPT (0.41) MAPTSMN1; SMN2
SCHEMBL10623749 0.86 ALDH1A1 (0.30) ALDH1A1MAPTSMN1; SMN2
SCHEMBL5402910 0.81
SCHEMBL7888958 0.80
SCHEMBL9874454 0.80 ATM (0.39) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL10420155 0.79 ALDH1A1 (0.44) ALDH1A1MAPT
SCHEMBL9731340 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1
SCHEMBL10417426 0.78 PPOX (0.43) ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL10419659 0.77 ALDH1A1 (0.32) ALDH1A1MAPTSMN1; SMN2

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