SCHEMBL7772116

SCHEMBL7772116

O=c1sc(CBr)cn1C(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 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
SCHEMBL9264616 0.69 PTGS2 (0.30) PTGS2
SCHEMBL9093660 0.69 PTGS2 (0.33) PTGS2
SCHEMBL9568798 0.65 DAO (0.40) PTGS2
SCHEMBL9254576 0.61 LMNA (0.37) PTGS2
SCHEMBL3176922 0.54
SCHEMBL9568757 0.54
SCHEMBL9227923 0.54 DAO (0.41)
SCHEMBL3900845 0.52
SCHEMBL16422811 0.49
SCHEMBL11659736 0.43

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665222-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 EP disclosed
US-5633375-A NONTOXIC TO HUMNAS, ANIMALS, FISH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-27 US disclosed
US-5489603-A CONTAINING NITROGEN HETEROCYCLIC RINGS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-06 US disclosed
EP-0493369-B1 Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-11-08 EP disclosed
EP-0665222-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1995-08-02 EP disclosed
EP-0493369-A1 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1992-07-01 EP disclosed
US-5034404-A Nitroguanidines as insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-23 US disclosed
EP-0376279-A2 Guanidine derivatives, their production and insecticides Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP disclosed