SCHEMBL9905349

SCHEMBL9905349

C=CC[n+]1ccn(CCO)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

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 3/20 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
SCHEMBL20840133 0.88 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL22285767 0.86 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL4366094 0.83 MEN1 (0.31) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL3304991 0.81 FDPS (0.43) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Bromide SCHEMBL28977684 0.80 FDPS (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Iodide SCHEMBL4363776 0.80 FDPS (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Hydrochloric Acid SCHEMBL4367840 0.80 FDPS (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL1931515 0.79 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL3224981 0.79 MEN1 (0.35) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL87311 0.79 ALDH1A1 (0.30)

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 5 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-20230203700-A1 METHOD FOR GREEN CHLORINATION OF SILVER MIMOS BERHAD (MY) 2023-06-29 US disclosed
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