SCHEMBL20538877

SCHEMBL20538877

C=Cc1ccc(C[n+]2ccn(CCCC)c2)cc1.F[P-](F)(F)(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
PON1 P27169 2/20 0.42
MEN1 O00255 2/20 0.37
HSP90AA1 P07900 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
FDPS P14324 13/20 0.36
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL14720499 0.95 CA1 (0.50) CA1CA2PON1MEN1HSP90AA1
Bromide SCHEMBL28649627 0.94 CA1 (0.49) CA1CA2PON1MEN1HSP90AA1
Hydrochloric Acid SCHEMBL16894026 0.94 CA1 (0.52) CA1CA2PON1MEN1HSP90AA1
SCHEMBL789900 0.93 CA1 (0.46) CA1CA2PON1MEN1HSP90AA1
SCHEMBL21273983 0.90 CA1 (0.57) CA1CA2PON1MEN1HSP90AA1
SCHEMBL15901623 0.90 CA1 (0.57) CA1CA2PON1MEN1HSP90AA1
Trifluoromethanesulfonamide SCHEMBL4421479 0.86 CA1 (0.41) CA1CA2PON1MEN1HSP90AA1
SCHEMBL28928505 0.82 CA1 (0.39) CA1CA2PON1MEN1KMT2A
SCHEMBL28977661 0.82 CA1 (0.41) CA1CA2
Trifluoromethanesulfonamide SCHEMBL27200566 0.82 CA1 (0.47) CA1CA2MEN1HSP90AA1KMT2A

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
US-10323329-B2 Hierarchically structured, nitrogen-doped carbon membranes KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-06-18 US disclosed
US-20180305827-A1 Hierarchically Structured, Nitrogen-Doped Carbon Membranes KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2018-10-25 US disclosed