SCHEMBL7688470

SCHEMBL7688470

CN(C)/C(=C\[N+](=O)[O-])Nc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.43
KCNQ2 O43526 13/20 0.43
KCNE1 P15382 9/20 0.43
KCNQ1 P51787 9/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
BACE1 P56817 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
F10 P00742 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7688471 1.00 KCNQ3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL7663631 0.80 ALDH1A1 (0.50) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL7663627 0.80 ALDH1A1 (0.50) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL7665659 0.78 ALDH1A1 (0.70) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL7665664 0.78 ALDH1A1 (0.70) KCNQ3KCNQ2KCNE1KCNQ1ALDH1A1
SCHEMBL7104203 0.78 FAAH (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7104208 0.78 FAAH (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8632932 0.77 MAPK1 (0.39) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL8632935 0.77 MAPK1 (0.39) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL7752451 0.75 ALDH1A1 (0.34) ALDH1A1MAPTHTTMEN1LMNA

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 10 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