SCHEMBL7540915

SCHEMBL7540915

CCn1nccc1Oc1ccc(Cl)c(Cn2nnn(C(C)(C)C)c2=O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.33
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL7540906 0.84 KDM5A (0.31) TSHRMAPK1
SCHEMBL6331533 0.82 RORC (0.31)
SCHEMBL14492003 0.66 ALDH1A1 (0.33)
SCHEMBL7539897 0.63 GCK (0.33) GCK
SCHEMBL7214537 0.62 SIGMAR1 (0.43) GCKMAPK1
SCHEMBL27982877 0.58
SCHEMBL6829938 0.57 RORC (0.30)
SCHEMBL27984511 0.55 KMT2A (0.45) MAPK1
SCHEMBL31139230 0.54 SMN1; SMN2 (0.39) TSHRMAPK1
SCHEMBL28470752 0.54 L3MBTL1 (0.37) GCK

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
EP-1208090-A1 HERBICIDALTETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-05-29 EP disclosed
WO-2001010850-A1 HERBICIDAL TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2001-02-15 WO disclosed