SCHEMBL10867211

SCHEMBL10867211

O=[N+]([O-])C=C1N=CCN1Cc1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CHRNA1 P02708 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33

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
SCHEMBL9408653 0.82 SMN1; SMN2 (0.41) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL10506559 0.78 SMN1; SMN2 (0.46) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL10510895 0.78 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL7995469 0.75 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL7995471 0.75 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL9408588 0.74 SMN1; SMN2 (0.42) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL9408700 0.73 KCNJ1 (0.42) SMN1; SMN2
SCHEMBL10573632 0.72 SMN1; SMN2 (0.36) SMN1; SMN2CHRNA1CHRNA3CHRNA7
SCHEMBL9408578 0.72 SMN1; SMN2 (0.34) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL10672935 0.71 CACNA1G (0.34) SMN1; SMN2

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
JP-61267561-A None JP disclosed
JP-S61267561-A NITROMETHYLENE DERIVATIVE, INTERMEDIATE THEREFOR, PRODUCTION THEREOF AND INSECTICIDE NIPPON TOKUSHU NOYAKU SEIZO KK 1986-11-27 JP disclosed