SCHEMBL7664973

SCHEMBL7664973

CN/C(=C\[N+](=O)[O-])NCc1cnc(Br)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2C P18825 1/20 0.38
NFKB1 P19838 1/20 0.38
CHRM3 P20309 1/20 0.38
ATP4A P20648 1/20 0.38
PTGS1 P23219 1/20 0.38
HRH2 P25021 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
PTGS2 P35354 1/20 0.38
ATP4B P51164 1/20 0.38
KMT2A Q03164 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
SCHEMBL7664976 1.00 ACHE (0.38) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL7671648 0.87 RECQL (0.39) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL7665692 0.87 RECQL (0.39) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL7671870 0.78 MAPT (0.42) MEN1LMNAKMT2AMAPTATG4B
SCHEMBL7666530 0.78 FPR2 (0.34) FPR2FPR3
SCHEMBL237828 0.76 FPR2 (0.34) FPR2FPR3HDAC6ATG4BHDAC1
SCHEMBL237829 0.76 FPR2 (0.34) FPR2FPR3HDAC6ATG4BHDAC1
SCHEMBL2786806 0.76 FPR2 (0.34) FPR2FPR3HDAC6ATG4BHDAC1
SCHEMBL7671914 0.75 LMNA (0.38) ACHEMEN1SLC22A1ABCB11LMNA
SCHEMBL7664952 0.74 ACHE (0.33) ACHEMEN1SLC22A1ABCB11LMNA

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