SCHEMBL7993655

SCHEMBL7993655

O=[N+]([O-])C=C1SCCCN1Cc1ccc(Br)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.47
CHRNA1 P02708 2/20 0.47
CHRNA3 P32297 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP11B1 P15538 1/20 0.35
CASP6 P55212 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL9070398 1.00 CHRNA7 (0.47) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL7995742 0.93 SMN1; SMN2 (0.46) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL9070091 0.93 SMN1; SMN2 (0.46) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL8628853 0.90 CHRNA1 (0.40) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL7996219 0.86 CHRNA1 (0.47) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL9070394 0.86 CHRNA1 (0.47) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL1019610 0.86 CHRNA7 (0.64) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL9070391 0.86 CHRNA7 (0.47) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL7993705 0.86 CHRNA7 (0.47) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2
SCHEMBL1019609 0.86 CHRNA7 (0.64) CHRNA7CHRNA1CHRNA3SMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US 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
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
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-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5521176-A Agrochemical compositions containing certain N-heterocycligs, compounds and stabilizer NIHON BAYER AGROCHEM K.K. (JP) 1996-05-28 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
EP-0431361-B1 Use of stabilizers for agrochemical compositions BAYER AGROCHEM KK (JP) 1994-02-23 EP disclosed
US-5140019-A Mixtures of substituted imidazolines and organophosphorus compounds with polyether stabilizers NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-08-18 US disclosed
EP-0431361-A1 Use of stabilizers for agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP disclosed
EP-0431362-A1 Stabilized agrochemical compositions NIHON BAYER AGROCHEM K.K. (JP) 1991-06-12 EP 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
EP-0256407-A1 Insecticidal agent NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-02-24 EP disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed