SCHEMBL7465992

SCHEMBL7465992

O=[N+]([O-])c1cccc2c1OC(C(Cl)C(F)(F)F)(C(F)(F)F)O2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
GPR35 Q9HC97 1/20 0.32
P2RY6 Q15077 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
PTPRC P08575 1/20 0.30
S100A4 P26447 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
SCHEMBL7466018 0.81 CYP1A2 (0.39) TDP1
SCHEMBL7470110 0.77
SCHEMBL7475191 0.77
SCHEMBL7470198 0.77
SCHEMBL7471125 0.75 POLB (0.34) TDP1
SCHEMBL7474543 0.74 HSD17B10 (0.38) TDP1CA1CA9PTPRCS100A4
SCHEMBL8975818 0.71 TDP1 (0.42) TDP1GPR35CA1CA2CA7
SCHEMBL8975989 0.71 TDP1 (0.42) TDP1GPR35CA1CA2CA7
SCHEMBL7466073 0.62 ALDH1A1 (0.38) TDP1
Ethane SCHEMBL28101016 0.61 TDP1 (0.52) TDP1GPR35CHRNB4CHRNA3S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596359-B1 Fluorinated 1,3-benzo- and 1,3-pyrido-dioxoles, process for their preparation and their use for the preparation of plant-protective agents BAYER AG (DE) 2002-07-03 EP disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
US-5420309-A Plant saftening agents, insecticides or nematocides BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 EP disclosed
EP-0596359-A2 Fluorinated 1,3-benzo- and 1,3-pyrido-dioxoles, process for their preparation and their use for the preparation of plant-protective agents BAYER AG (DE) 1994-05-11 EP disclosed