SCHEMBL8064622

SCHEMBL8064622

CNC(=C[N+](=O)[O-])N(C)Cc1ccc(F)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 2/20 0.32
ACHE P22303 2/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 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

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
SCHEMBL8405622 0.88 MMP2 (0.34) MMP2MMP9MMP8MMP13POLB
SCHEMBL7662601 0.86 ALDH1A1 (0.35) LMNAACHESMN1; SMN2MEN1SLC22A1
SCHEMBL236739 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL236738 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13ALDH1A1
SCHEMBL7669278 0.86 MMP2 (0.34) MMP2MMP9MMP8MMP13QPCT
SCHEMBL5001742 0.85 CHRNB2 (0.39) SMN1; SMN2MEN1CYP2C19KMT2AMAPT
SCHEMBL7658367 0.85 MMP2 (0.35) MMP2MMP9MMP8MMP13LMNA
SCHEMBL7106155 0.85 CHRNB2 (0.39) SMN1; SMN2MEN1CYP2C19KMT2AMAPT
SCHEMBL7662155 0.84 MMP2 (0.36) MMP2MMP9MMP8MMP13LMNA
SCHEMBL7662728 0.83 TAS2R14 (0.40) LMNAPOLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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