SCHEMBL8069181

SCHEMBL8069181

CNC(=C[N+](=O)[O-])NCCc1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 3/20 0.41
ACHE P22303 2/20 0.41
SLC22A1 O15245 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2C P18825 1/20 0.41
NFKB1 P19838 1/20 0.41
CHRM3 P20309 1/20 0.41
ATP4A P20648 1/20 0.41
PTGS1 P23219 1/20 0.41
HRH2 P25021 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
PTGS2 P35354 1/20 0.41
ATP4B P51164 1/20 0.41

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
SCHEMBL8066452 0.93 QPCTL (0.41) MEN1KMT2ACYP2C19ACHESLC22A1
SCHEMBL8069186 0.89 MEN1 (0.41) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL7664009 0.88 FAAH (0.44) MEN1KMT2ACYP2C19ACHESLC22A1
SCHEMBL7664002 0.88 FAAH (0.44) MEN1KMT2ACYP2C19ACHESLC22A1
SCHEMBL8075265 0.80 ALDH1A1 (0.41) CYP2C19SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7663609 0.79 CYP2C9 (0.44) MEN1KMT2ACYP2C19SMN1; SMN2MAPT
SCHEMBL8322296 0.79 CASP6 (0.38) MEN1KMT2ACYP2C19LMNASMN1; SMN2
SCHEMBL1747709 0.77 CHRNB2 (0.42) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL1747708 0.77 CHRNB2 (0.42) MEN1KMT2ACYP2C19SMN1; SMN2NPC1
SCHEMBL1747706 0.77 CHRNB2 (0.42) MEN1KMT2ACYP2C19SMN1; SMN2NPC1

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 9 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-6096751-A INSECTICIDES, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-6054459-A INSECTICIDES AND ECTOPARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-25 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