SCHEMBL28538034

SCHEMBL28538034

CCCCCn1cc[n+](C2CCC2)c1.N#CNC#N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ FDPS P14324 16/20 0.32
▸ TBXAS1 P24557 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
SCHEMBL21834790 0.84 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL21834829 0.84 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL7748344 0.82 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL28896037 0.82 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL28896178 0.82 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL28896398 0.82 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL23698422 0.81 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL15902093 0.75 MEN1 (0.73) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL21834744 0.74 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1519031 0.72 MEN1 (0.63) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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
CN-112521338-B Spontaneous combustion ionic liquid containing tension ring structure and application 郑州大学 2022-10-18 — — CN disclosed
CN-112521338-A Spontaneous combustion ionic liquid containing tension ring structure and application 郑州大学 2021-03-19 — — CN disclosed
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