SCHEMBL28087729

SCHEMBL28087729

CCC[N+](C)(C)C.F[B-](F)(F)F.[H+]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.41
APAF1 O14727 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAD52 P43351 1/20 0.38
SLC22A1 O15245 1/20 0.37
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
APEX1 P27695 3/20 0.35
LMNA P02545 3/20 0.35
NFKB1 P19838 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ACHE P22303 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PMP22 Q01453 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1718323 0.97 DNM1 (0.43) DNM1APAF1HSP90AA1RAD52SLC22A1
SCHEMBL13169630 0.83
SCHEMBL160184 0.83
SCHEMBL28087622 0.82 DNM1 (0.57) DNM1APAF1HSP90AA1RAD52SLC22A1
SCHEMBL28087624 0.81 DNM1 (0.50) DNM1HSP90AA1RAD52SLC22A1KMT2A
SCHEMBL28087725 0.81 SLC22A1 (0.37) DNM1SLC22A1
SCHEMBL27748092 0.80 DNM1 (0.70) DNM1APAF1HSP90AA1RAD52SLC22A1
Hydrochloric Acid SCHEMBL28300489 0.80
Water SCHEMBL813156 0.79
Bromide SCHEMBL34464663 0.79 DNM1 (0.56) DNM1APAF1HSP90AA1RAD52SLC22A1

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
CN-105932305-A Oxygen Reduction Catalyst, Method For Producing The Same, And Polymer Electrolyte Fuel Cell 昭和电工株式会社 2016-09-07 CN disclosed