SCHEMBL10564802

SCHEMBL10564802

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRNA1 P02708 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
ALDH1A1 P00352 1/20 0.36
EGLN1 Q9GZT9 1/20 0.31
ENPP2 Q13822 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
GRM2 Q14416 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
SCHEMBL10568148 0.89 CHRNB2 (0.46) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070366 0.87 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9840527 0.85 SMN1; SMN2 (0.66) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10565107 0.85 SMN1; SMN2 (0.66) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070420 0.83 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9839937 0.82 CHRNA1 (0.68) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9068992 0.81 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL1019754 0.81 CHRNB2 (0.70) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL9070117 0.81 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA1CHRNA3
SCHEMBL10564708 0.81 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 disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 US disclosed