SCHEMBL5833965

SCHEMBL5833965

Cc1ccc(CN2CCN/C2=N\C#N)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRNA7 P36544 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM1 P11229 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
AR P10275 2/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
F10 P00742 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
POLB P06746 2/20 0.32
ADORA1 P30542 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL5833966 1.00 MEN1 (0.44) MEN1KMT2ACHRNA7TDP1CHRM1
SCHEMBL9070175 0.94 CHRNA7 (0.41) MEN1KMT2ACHRNA7TDP1CHRM1
SCHEMBL5833431 0.85 CHRNA7 (0.44) MEN1KMT2ACHRNA7TDP1SMN1; SMN2
SCHEMBL10062419 0.85 CHRNA7 (0.44) MEN1KMT2ACHRNA7TDP1SMN1; SMN2
SCHEMBL5833432 0.85 CHRNA7 (0.44) MEN1KMT2ACHRNA7TDP1SMN1; SMN2
SCHEMBL9069346 0.85 CHRNA7 (0.44) MEN1KMT2ACHRNA7TDP1SMN1; SMN2
SCHEMBL5833216 0.85 CHRNA7 (0.61) MEN1KMT2ACHRNA7TDP1SMN1; SMN2
SCHEMBL5833213 0.85 CHRNA7 (0.61) MEN1KMT2ACHRNA7TDP1SMN1; SMN2
SCHEMBL19975726 0.85 CHRNA7 (0.61) MEN1KMT2ACHRNA7TDP1SMN1; SMN2
SCHEMBL9069347 0.85 CHRNA7 (0.44) MEN1KMT2ACHRNA7TDP1SMN1; SMN2

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 28 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
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-4849432-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-18 US claimed
EP-0235725-A2 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1987-09-09 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-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
EP-0235725-A2 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1987-09-09 EP disclosed