SCHEMBL28807237

SCHEMBL28807237

C=CCn1cc[n+](C)c1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
FDPS P14324 2/20 0.34
LMNA P02545 1/20 0.33
PON1 P27169 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
SCHEMBL399073 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL205339 0.92
Water SCHEMBL5809030 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Ammonia Solution, Strong SCHEMBL28942113 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Bromide SCHEMBL2230104 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Fluoride Ion SCHEMBL4200937 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Iodide SCHEMBL898865 0.90 MEN1 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL59757 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Bromide SCHEMBL21777067 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL23202821 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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-109749235-B Reversible micro-crosslinked high-melt-strength polypropylene and preparation method thereof 万华化学集团股份有限公司 2022-08-05 CN claimed
CN-109749235-B Reversible micro-crosslinked high-melt-strength polypropylene and preparation method thereof 万华化学集团股份有限公司 2022-08-05 CN disclosed