SCHEMBL5833743

SCHEMBL5833743

N#CN=C1NCCCN1Cc1ccc(Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CHRNA1 P02708 3/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5833213 0.94 CHRNA7 (0.61) CHRNA7MEN1KMT2ATDP1CHRNA1
SCHEMBL5833216 0.94 CHRNA7 (0.61) CHRNA7MEN1KMT2ATDP1CHRNA1
SCHEMBL19975726 0.94 CHRNA7 (0.61) CHRNA7MEN1KMT2ATDP1CHRNA1
SCHEMBL9070175 0.86 CHRNA7 (0.41) CHRNA7MEN1KMT2ATDP1CHRNA1
SCHEMBL6323463 0.83 CHRNA7 (0.56) CHRNA7MEN1KMT2ATDP1CHRNA1
SCHEMBL6323459 0.83 CHRNA7 (0.56) CHRNA7MEN1KMT2ATDP1CHRNA1
SCHEMBL8113019 0.79 CHRNA1 (0.66) CHRNA7CHRNA1CHRNA3CHRNB2CHRNA4
SCHEMBL676764 0.79 CHRNA1 (0.66) CHRNA7CHRNA1CHRNA3CHRNB2CHRNA4
SCHEMBL7922497 0.79 CHRNA7 (0.53) CHRNA7MEN1KMT2ATDP1CHRNA1
SCHEMBL7506849 0.79 CHRNA7 (0.53) CHRNA7MEN1KMT2ATDP1CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39140-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-20 US claimed
US-RE39127-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US claimed
US-RE39129-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US claimed
US-RE39131-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US claimed
US-RE39130-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US claimed
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
EP-0235725-B1 HETEROCYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1991-11-21 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
US-RE39140-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-20 US disclosed
US-RE39129-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US disclosed
US-RE39131-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US disclosed
US-RE39130-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US disclosed
EP-0235725-B1 HETEROCYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1991-11-21 EP 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
US-4849432-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-18 US disclosed