SCHEMBL10568148

SCHEMBL10568148

O=[N+]([O-])C=C1NCC=CN1Cc1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHRNA1 P02708 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MOGAT2 Q3SYC2 1/20 0.32
CYP1A2 P05177 1/20 0.32
KLKB1 P03952 1/20 0.32
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
TRPV3 Q8NET8 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
SCHEMBL10564802 0.89 CHRNB2 (0.47) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070366 0.86 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9839038 0.85 SMN1; SMN2 (0.65) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9839034 0.85 SMN1; SMN2 (0.65) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10568145 0.82 CHRNA1 (0.67) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070420 0.82 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL1019754 0.80 CHRNB2 (0.70) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10564708 0.80 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9068992 0.80 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070117 0.80 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4812454-A Nitromethylene derivatives and their use as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US claimed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 US claimed