SCHEMBL7658367

SCHEMBL7658367

CNC(=C[N+](=O)[O-])N(C)Cc1ccc(Br)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
LMNA P02545 3/20 0.32
ACHE P22303 2/20 0.32
MEN1 O00255 1/20 0.32
SLC22A1 O15245 1/20 0.32
ABCB11 O95342 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
ATP4A P20648 1/20 0.32
PTGS1 P23219 1/20 0.32
HRH2 P25021 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8404112 0.88 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL8406507 0.88 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL8698688 0.87 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL7662601 0.86 ALDH1A1 (0.35) LMNAACHEMEN1SLC22A1ABCB11
SCHEMBL7662728 0.86 TAS2R14 (0.40) LMNAMEN1KMT2AMAPT
SCHEMBL7669217 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13
SCHEMBL235769 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL235768 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL7106155 0.85 CHRNB2 (0.39) MEN1CYP2C19KMT2AMAPTALDH1A1
SCHEMBL5001742 0.85 CHRNB2 (0.39) MEN1CYP2C19KMT2AMAPTALDH1A1

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 14 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
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 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-0496106-B1 Stable agrochemical compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-12-20 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5230893-A Pesticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-27 US 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-0496106-A1 Stable agrochemical compositions Takeda Chemical Industries, Ltd. (JP) 1992-07-29 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed