SCHEMBL7994071

SCHEMBL7994071

O=[N+]([O-])C=C1SCCN1Cc1ccc(F)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CHRNA7 P36544 3/20 0.44
CHRNA1 P02708 2/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CASP6 P55212 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL9069685 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL9070391 0.93 CHRNA7 (0.47) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL7993705 0.93 CHRNA7 (0.47) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL7995696 0.86 SMN1; SMN2 (0.45) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL7995697 0.86 SMN1; SMN2 (0.45) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL7996120 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL7995742 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL9070401 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL1020001 0.85 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2
SCHEMBL9070091 0.85 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA7CHRNA1CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1032185-C Stabilized agrochemical compositions NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1996-07-03 CN claimed
CN-1032182-C Stabilized agrochemical compositions NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1996-07-03 CN claimed
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP claimed
EP-0431362-B1 Stabilized agrochemical compositions BAYER AGROCHEM KK (JP) 1993-11-03 EP claimed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US claimed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP claimed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US claimed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US claimed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP claimed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
CN-1032185-C Stabilized agrochemical compositions NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1996-07-03 CN disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
EP-0256407-B1 INSECTICIDAL AGENT NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-03-06 EP disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed