SCHEMBL9000397

SCHEMBL9000397

CC(=O)COc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPOX P50336 12/20 0.41
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
DHODH Q02127 1/20 0.33
FHIT P49789 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7939084 0.90 PPOX (0.37) PPOX
SCHEMBL10934198 0.86 PPOX (0.39) PPOX
SCHEMBL10934193 0.86 PPOX (0.39) PPOX
SCHEMBL10845648 0.85 PPOX (0.47) PPOXGAAPKM
SCHEMBL10871372 0.85 PPOX (0.40) PPOXTP53
SCHEMBL8431862 0.84 PPOX (0.40) PPOX
SCHEMBL9000403 0.83 PPOX (0.37) PPOXDHODHTP53
SCHEMBL8430652 0.83 PPOX (0.41) PPOX
SCHEMBL11036738 0.82 PPOX (0.46) PPOXPKMTP53
SCHEMBL8433559 0.82 PPOX (0.37) PPOXTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480679-B1 Pesticidal composition SUMITOMO CHEMICAL CO (JP) 1996-09-18 EP disclosed
US-5232701-A Improvement in dispersibility in water and diffusion ability; storage stability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-03 US disclosed
EP-0480679-A1 Pesticidal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-15 EP disclosed