SCHEMBL5822935

SCHEMBL5822935

CCCCCc1ccc(C[n+]2ccn(CCCC)c2)cc1.F[B-](F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PON1 P27169 2/20 0.45
MEN1 O00255 2/20 0.42
HSP90AA1 P07900 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CHKA P35790 2/20 0.38
FDPS P14324 11/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL28223513 0.86 PON1 (0.52) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL789900 0.84 CA1 (0.46) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5304277 0.80 PON1 (0.56) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5048639 0.79 PON1 (0.52) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL23698409 0.79 PON1 (0.58) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
Bromide SCHEMBL15819609 0.79 PON1 (0.55) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5822937 0.79 HRH3 (0.38)
SCHEMBL10058656 0.78 PON1 (0.50) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5304014 0.78 MEN1 (0.53) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5295976 0.78 MEN1 (0.53) PON1MEN1HSP90AA1KMT2ASMN1; SMN2

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-2006053083-A2 POLYMERS AND COPOLYMERS OF IONIC LIQUIDS AS RADIO FREQUENCY ABSORBING MATERIALS UNIVERSITY OF WYOMING (US) 2006-05-18 WO claimed