SCHEMBL7669109

SCHEMBL7669109

CNC(=C[N+](=O)[O-])N(C=O)Cc1cnc(Br)s1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
ACHE P22303 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
SCHEMBL7668954 0.88 RECQL (0.36) ACHE
SCHEMBL7664952 0.85 ACHE (0.33) PDK1PDK2PDK3PDK4ACHE
SCHEMBL7672439 0.84 PDK1 (0.36) PDK1PDK2PDK3PDK4
SCHEMBL237726 0.83 ACHE (0.30) PDK1PDK2PDK3PDK4ACHE
SCHEMBL237725 0.83 ACHE (0.30) PDK1PDK2PDK3PDK4ACHE
SCHEMBL7669194 0.83 PDK1 (0.34) PDK1PDK2PDK3PDK4
SCHEMBL7662711 0.81
SCHEMBL8405612 0.79 PDK1 (0.32) PDK1PDK2PDK3PDK4
SCHEMBL7669217 0.78 MMP2 (0.34)
SCHEMBL7666530 0.76 FPR2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed