SCHEMBL8843329

SCHEMBL8843329

CC1CCCC(n2nn[nH]c2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRM5 P41594 1/20 0.30
GRM1 Q13255 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
SCHEMBL8842662 0.83 NFE2L2 (0.30)
SCHEMBL8601462 0.81 ALDH1A1 (0.36) MAPTALDH1A1
SCHEMBL5906267 0.79 ALDH1A1 (0.39) MAPTALDH1A1
SCHEMBL8842637 0.75 ALDH1A1 (0.38) MAPTALDH1A1
SCHEMBL8843267 0.75
SCHEMBL8038796 0.72 NFE2L2 (0.32)
SCHEMBL8843336 0.71 HCAR1 (0.36) JAK2JAK1JAK3MAPK1
SCHEMBL8025205 0.71 NFE2L2 (0.33)
SCHEMBL8041713 0.69
SCHEMBL8842403 0.69 HTT (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605920-A HERBICIDES, SELECTIVE IN PADDY FIELDS NIHON BAYER AGROCHEM K.K. (JP) 1997-02-25 US disclosed
EP-0733625-A1 1-Substituted-tetrazolinones and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-09-25 EP disclosed