SCHEMBL10564708

SCHEMBL10564708

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.52
CHRNA4 P43681 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRNA3 P32297 3/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNA7 P36544 1/20 0.49
ALDH1A1 P00352 2/20 0.37
MAPT P10636 5/20 0.34
CHRNB4 P30926 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RAB9A P51151 1/20 0.32
CASP6 P55212 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
SCHEMBL9070420 0.86 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
SCHEMBL1019754 0.86 CHRNB2 (0.70) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
SCHEMBL9068992 0.86 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
SCHEMBL9070117 0.86 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL10483913 0.85 CHRNB2 (0.69) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL10483929 0.85 CHRNB2 (0.51) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
SCHEMBL9070366 0.84 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
SCHEMBL10564722 0.84 CHRNB2 (0.49) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
SCHEMBL7995341 0.82 CHRNB2 (0.52) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1
SCHEMBL9070416 0.81 CHRNB2 (0.46) CHRNB2CHRNA4SMN1; SMN2CHRNA3CHRNA1

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