SCHEMBL30697983

SCHEMBL30697983

C=C[n+]1ccn(CCCCC)c1.F[B-](F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ HSP90AA1 P07900 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49
▸ FDPS P14324 17/20 0.36

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
SCHEMBL28419090 0.98 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28167337 0.98 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL3795277 0.95 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL30697982 0.94 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL29031620 0.92 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL16307692 0.92 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL27921181 0.92 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL31501079 0.92 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL8450143 0.92 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Hydrochloric Acid SCHEMBL2394765 0.90 MEN1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024005716-A1 COMPOSITE MATERIALS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-01-04 — — WO disclosed
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