SCHEMBL9770833

SCHEMBL9770833

COC(=O)CSc1cc(N=c2sc(=O)n3n2CCC=C3)c(F)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.31
PPOX P50336 1/20 0.31

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
SCHEMBL9770986 0.91 ALDH1A1 (0.34) ALDH1A1KMT2AGAAPPOX
SCHEMBL9771013 0.90 POLB (0.33) ALDH1A1KMT2AGAA
SCHEMBL9770845 0.88 POLB (0.32) ALDH1A1GAA
SCHEMBL9615478 0.86 PPOX (0.33) ALDH1A1KMT2AGAAPPOX
Fluthiacetmethyl SCHEMBL39080 0.85 KMT2A (0.35) ALDH1A1KMT2AGAAPPOX
Fluthiacetmethyl SCHEMBL8437784 0.85 KMT2A (0.35) ALDH1A1KMT2AGAAPPOX
SCHEMBL9048292 0.85 KMT2A (0.33) ALDH1A1KMT2AGAAPPOX
SCHEMBL9048297 0.85 KMT2A (0.33) ALDH1A1KMT2AGAAPPOX
Fluthiacetmethyl SCHEMBL29405302 0.85 KMT2A (0.35) ALDH1A1KMT2AGAAPPOX
Fluthiacetmethyl SCHEMBL9048322 0.85 KMT2A (0.35) ALDH1A1KMT2AGAAPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US claimed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP claimed
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed