SCHEMBL7664009

SCHEMBL7664009

CNC(=C[N+](=O)[O-])NCc1ccc(Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CYP2C9 P11712 2/20 0.41
NAMPT P43490 2/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CASP6 P55212 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 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
SCHEMBL7664002 1.00 FAAH (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7663609 0.92 CYP2C9 (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7752227 0.89 FAAH (0.46) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7668141 0.88 NAMPT (0.42) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL8069181 0.88 MEN1 (0.42) CYP2C9CHRNB2CHRNA4MAPTSMN1; SMN2
SCHEMBL7668111 0.87 ALDH1A1 (0.47) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7668113 0.87 ALDH1A1 (0.47) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL9045819 0.86 FAAH (0.42) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7662087 0.86 FAAH (0.42) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL8066452 0.85 QPCTL (0.41) FAAHCYP2C9CHRNB2CHRNA4MAPT

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1044071-C Insecticidal agents NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1999-07-14 CN claimed
CN-1045333-A Insecticide NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1990-09-19 CN claimed
JP-3095104-A None JP disclosed
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
EP-0632957-B1 A method of killing noxious insects BAYER AGROCHEM KK (JP) 2001-01-17 EP 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
CN-1044071-C Insecticidal agents NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1999-07-14 CN disclosed
US-5882670-A MUSHROOM-CARRYING CRUSHED OR GROUND BROAD LEAVED TREE ATTRACTANT NIHON BAYER AGROCHEM K.K. (JP) 1999-03-16 US disclosed
US-5880142-A SYNERGISTIC MIXTURE OF CYFLUTHRIN AND SPECIFIC PERMEABLE INSECTICIDE NIHON BAYER AGROCHEM K.K. (JP) 1999-03-09 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed
US-5081132-A Insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-01-14 US disclosed
EP-0425030-A2 Butenone compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-05-02 EP disclosed
JP-H0395104-A WHITE ANT-PROOFING AGENT NIPPON TOKUSHU NOYAKU SEIZO KK 1991-04-19 JP disclosed
EP-0402717-A1 5-nitro-tetrahydropyrimidines and insecticides containing them for agricultural uses NIHON BAYER AGROCHEM K.K. (JP) 1990-12-19 EP disclosed
EP-0398084-A2 Nitro-substituted heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-11-22 EP disclosed
CN-1045333-A Insecticide NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1990-09-19 CN disclosed
EP-0366085-A2 Tetrahydropyrimidines, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-02 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed