SCHEMBL8977314

SCHEMBL8977314

CCOc1ccccc1-n1nn[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 1/20 0.46
CACNA2D1 P54289 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD4 P21917 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
ADRA1B P35368 3/20 0.41
ESR1 P03372 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15351580 0.87 DAO (0.40) ALDH1A1MAPK1CACNA2D1MAPTHTT
SCHEMBL18503965 0.86 DAO (0.39) ALDH1A1MAPK1CACNA2D1MAPTHTT
SCHEMBL5906062 0.83 MGLL (0.47) ALDH1A1MAPTDRD2DRD3
SCHEMBL18037170 0.83 BRD4 (0.48) MAPK1MAPTDRD2TDP1L3MBTL1
SCHEMBL16920861 0.80 ALDH1A1 (0.41) ALDH1A1MAPK1CACNA2D1MAPTHTT
SCHEMBL8977216 0.80 MGLL (0.44) ALDH1A1MAPT
SCHEMBL16920854 0.78 KDM4E (0.39) ALDH1A1MAPK1MAPTHTTDRD2
SCHEMBL19646248 0.78 ALDH1A1 (0.37) ALDH1A1MAPK1CACNA2D1MAPTHTT
SCHEMBL18831600 0.77 ALDH1A1 (0.36) ALDH1A1MAPK1CACNA2D1MAPTHTT
SCHEMBL19646222 0.77 MAPT (0.36) ALDH1A1MAPK1CACNA2D1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed
EP-0202929-B1 SUBSTITUTED TETRAZOLINONES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1992-01-02 EP disclosed
US-4956469-A REACTION OF A TETRAZOLONE WITH AN ALKALI METAL CARBONATE FOLLOWED BY REACTION WITH A CARBAMOYL HALIDE, THESE ARE USEFUL AS HERBICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-09-11 US disclosed
EP-0324221-A2 Phenoxyphenyl-substituted tetrazolinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-07-19 EP disclosed
US-4826529-A PLANT GROWTH REGULATORS UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-05-02 US disclosed
US-4772712-A PRE-AND POSTEMERGENCE HERBICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1988-09-20 US disclosed
EP-0146279-B1 SUBSTITUTED TETRAZOLINONES USEFUL AS HERBICIDES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1988-02-24 EP disclosed
EP-0202929-A2 Substituted tetrazolinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-26 EP disclosed
US-4618365-A Substituted tetrazolinones and their use as herbicides UNIROYAL CHEMICAL COMPANY, INC. (US) 1986-10-21 US disclosed
EP-0146279-A1 Substituted tetrazolinones useful as herbicides UNIROYAL CHEMICAL COMPANY, Inc. (US) 1985-06-26 EP disclosed