SCHEMBL7664829

SCHEMBL7664829

CN(C)CCNC(=C[N+](=O)[O-])NCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.45
NAMPT P43490 1/20 0.45
RECQL P46063 1/20 0.44
CHRNA7 P36544 1/20 0.44
FES P07332 1/20 0.43
RET P07949 1/20 0.43
MARK3 P27448 1/20 0.43
TYK2 P29597 1/20 0.43

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
SCHEMBL7664824 1.00 HTT (0.46) HTTLMNANFKB1NFKB2RELA
SCHEMBL7671900 0.88 HTT (0.55) HTTLMNANFKB1NFKB2RELA
SCHEMBL7669441 0.86 HTT (0.49) HTTLMNANFKB1NFKB2RELA
SCHEMBL7669439 0.86 HTT (0.49) HTTLMNANFKB1NFKB2RELA
SCHEMBL7660034 0.85 FES (0.50) HTTLMNANFKB1NFKB2RELA
SCHEMBL7660037 0.85 FES (0.50) HTTLMNANFKB1NFKB2RELA
SCHEMBL7663800 0.85 HTT (0.48) HTTLMNANFKB1NFKB2RELA
SCHEMBL7659981 0.84 HTT (0.50) HTTLMNANFKB1NFKB2RELA
SCHEMBL7659976 0.84 HTT (0.50) HTTLMNANFKB1NFKB2RELA
SCHEMBL7687961 0.84 HTT (0.48) HTTLMNANFKB1NFKB2RELA

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