SCHEMBL9770990

SCHEMBL9770990

CC(C)Oc1cc(N=c2sc(=O)n3n2CCC=C3)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.36
MEN1 O00255 1/20 0.30
NR1I2 O75469 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9770849 0.89 PPOX (0.33) PPOX
SCHEMBL9770861 0.88 PPOX (0.36) PPOX
SCHEMBL10339198 0.84 PPOX (0.36) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL8567526 0.83 PPOX (0.41) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL8567529 0.83 PPOX (0.41) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL9770877 0.83 PPOX (0.33) PPOX
SCHEMBL9770883 0.81
SCHEMBL9770916 0.80 PPOX (0.34) PPOX
SCHEMBL9131178 0.80 PPOX (0.39) PPOXMEN1NR1I2KMT2ATDP1
SCHEMBL9410055 0.80 PPOX (0.37) PPOXMEN1NR1I2KMT2ATDP1

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-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