SCHEMBL7671906

SCHEMBL7671906

CN(C)/C(=C\[N+](=O)[O-])NCc1ccc(F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
KLKB1 P03952 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
SCHEMBL7671911 1.00 HDAC1 (0.35) HDAC1ALDH1A1HTTATG4BMMP2
SCHEMBL7662536 0.89 HDAC1 (0.34) HDAC1ALDH1A1HTTATG4BMMP2
SCHEMBL8401698 0.89 HDAC1 (0.34) HDAC1ALDH1A1HTTATG4BMMP2
SCHEMBL7662040 0.85 FPR2 (0.37) ATG4BMMP2MMP9MMP8MMP13
SCHEMBL7104208 0.85 FAAH (0.43) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7104203 0.85 FAAH (0.43) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7664018 0.81 LMNA (0.38) HDAC1ALDH1A1HTTATG4BLMNA
SCHEMBL7664020 0.81 LMNA (0.38) HDAC1ALDH1A1HTTATG4BLMNA
SCHEMBL8064622 0.79 MMP2 (0.35) ALDH1A1HTTMMP2MMP9MMP8
SCHEMBL9864923 0.79 HTT (0.50) ALDH1A1HTTATG4BLMNAKMT2A

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-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-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