SCHEMBL5833432

SCHEMBL5833432

N#CN=C1NCCN1Cc1ccc(F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNA1 P02708 2/20 0.32
CHRNA3 P32297 2/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL5833431 1.00 CHRNA7 (0.44) CHRNA7MEN1KMT2ATDP1CYP11B1
SCHEMBL9069346 0.85 CHRNA7 (0.44) CHRNA7MEN1KMT2ATDP1CYP11B1
SCHEMBL10062419 0.85 CHRNA7 (0.44) CHRNA7MEN1KMT2ATDP1CYP11B1
SCHEMBL9069347 0.85 CHRNA7 (0.44) CHRNA7MEN1KMT2ATDP1CYP11B1
SCHEMBL5833965 0.85 MEN1 (0.44) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL5833966 0.85 MEN1 (0.44) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL5833216 0.85 CHRNA7 (0.61) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL5833213 0.85 CHRNA7 (0.61) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL19975726 0.85 CHRNA7 (0.61) CHRNA7MEN1KMT2ATDP1ALDH1A1
SCHEMBL9070175 0.79 CHRNA7 (0.41) CHRNA7MEN1KMT2ATDP1ALDH1A1

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 31 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-RE39130-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
CN-1032182-C Stabilized agrochemical compositions NIHON TOKUSHU NOYAKU SEIZO KK (JP) 1996-07-03 CN claimed
CN-1032185-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-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-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
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