SCHEMBL5833618

SCHEMBL5833618

Cc1cnc(CN2CCN/C2=N\C#N)cn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CHRNA7 P36544 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL5833619 1.00 MEN1 (0.32) MEN1CHRNA7KMT2ATDP1ALDH1A1
SCHEMBL5833966 0.83 MEN1 (0.44) MEN1CHRNA7KMT2ATDP1ALDH1A1
SCHEMBL5833965 0.83 MEN1 (0.44) MEN1CHRNA7KMT2ATDP1ALDH1A1
SCHEMBL9070175 0.78 CHRNA7 (0.41) MEN1CHRNA7KMT2ATDP1ALDH1A1
SCHEMBL10390354 0.77 DDB1 (0.46) MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10390351 0.77 DDB1 (0.46) MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19975726 0.73 CHRNA7 (0.61) MEN1CHRNA7KMT2ATDP1ALDH1A1
SCHEMBL5833192 0.73 ALDH1A1 (0.40) MEN1CHRNA7KMT2ATDP1ALDH1A1
SCHEMBL2755018 0.73 ALDH1A1 (0.40) MEN1CHRNA7KMT2ATDP1ALDH1A1
SCHEMBL5833216 0.73 CHRNA7 (0.61) MEN1CHRNA7KMT2ATDP1ALDH1A1

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 13 patents. 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
EP-0235725-B1 HETEROCYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1991-11-21 EP claimed
EP-0235725-A2 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1987-09-09 EP claimed
US-RE39127-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US disclosed
US-RE39129-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
US-RE39131-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
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