SCHEMBL9905037

SCHEMBL9905037

C=CC[n+]1ccn(CCC[Si](OC)(OC)OC)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.30
PON1 P27169 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
Hydrochloric Acid SCHEMBL14672656 0.99 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2PON1
Hydrochloric Acid SCHEMBL503686 0.81 MEN1 (0.38) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL30360159 0.81 MEN1 (0.35) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL1931515 0.79 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL14672583 0.78 MEN1 (0.30) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL20840133 0.78 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL14672651 0.77 MEN1 (0.36) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Water SCHEMBL15361620 0.77 MEN1 (0.47) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL19857302 0.77 MEN1 (0.47) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL3803548 0.77 MEN1 (0.47) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US claimed
WO-2012075574-A1 AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-14 WO claimed
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US disclosed
WO-2012075574-A1 AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-14 WO disclosed