SCHEMBL7752227

SCHEMBL7752227

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
CYP2C9 P11712 2/20 0.41
NAMPT P43490 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
SMN1; SMN2 Q16637 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
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CASP6 P55212 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
FPR2 P25090 1/20 0.37

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
SCHEMBL7663609 0.94 CYP2C9 (0.44) FAAHCYP2C9NAMPTALDH1A1CHRNB2
SCHEMBL7664002 0.89 FAAH (0.44) FAAHCYP2C9NAMPTALDH1A1CHRNB2
SCHEMBL7664009 0.89 FAAH (0.44) FAAHCYP2C9NAMPTALDH1A1CHRNB2
SCHEMBL7662087 0.88 FAAH (0.42) FAAHCYP2C9NAMPTALDH1A1CHRNB2
SCHEMBL8069186 0.88 MEN1 (0.41) FAAHCYP2C9ALDH1A1CHRNB2CHRNA4
SCHEMBL7668111 0.86 ALDH1A1 (0.47) FAAHCYP2C9NAMPTALDH1A1CHRNB2
SCHEMBL7668113 0.86 ALDH1A1 (0.47) FAAHCYP2C9NAMPTALDH1A1CHRNB2
SCHEMBL9045819 0.85 FAAH (0.42) FAAHCYP2C9NAMPTALDH1A1CHRNB2
SCHEMBL8556158 0.84 FAAH (0.40) FAAHCYP2C9NAMPTALDH1A1CHRNB2
SCHEMBL8925534 0.84 FAAH (0.46) FAAHCYP2C9NAMPTALDH1A1CHRNB2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1045333-A Insecticide NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1990-09-19 CN claimed
EP-0632957-B1 A method of killing noxious insects BAYER AGROCHEM KK (JP) 2001-01-17 EP 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
EP-0648412-B1 Poisonous baits for controlling soil-inhabiting pests BAYER AGROCHEM KK (JP) 1998-12-02 EP disclosed
US-5707640-A INSECTICIDES FOR SOILS NIHON BAYER AGROCHEM K.K. (JP) 1998-01-13 US disclosed
US-5661164-A APPLYING A SYNERGISTIC MIXTURE OF CYFLUTHRIN, 1-(6-CHLORO-3-PYRIDYLMETHYL)-N-NITROIMIDAZOLIDIN-2-YLIDENE-AMINE AND A CARRIER NIHON BAYER AGROCHEM K.K. (JP) 1997-08-26 US disclosed
US-5561945-A PRESSURE FORCES ABSORPTION OF ACTIVE MATERIAL INTO STEMS NIHON BAYER AGROCHEM K.K. (JP) 1996-10-08 US disclosed
EP-0366085-B1 Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-17 EP disclosed
US-5455256-A Controlling thrips NIHON BAYER AGROCHEM K.K. (JP) 1995-10-03 US disclosed
EP-0648412-A1 Poisonous baits for controlling soil-inhabiting pests NIHON BAYER AGROCHEM K.K. (JP) 1995-04-19 EP disclosed
EP-0632957-A1 A method of killing noxious insects NIHON BAYER AGROCHEM K.K. (JP) 1995-01-11 EP disclosed
EP-0617890-A1 Synergistic insecticidal compositions NIHON BAYER AGROCHEM K.K. (JP) 1994-10-05 EP disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US 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