SCHEMBL4839664

SCHEMBL4839664

FC(F)(F)C(F)(F)F.O=S(=O)(Oc1ccc([S+](c2ccccc2)c2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(Oc1ccc([S+](c2ccccc2)c2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CA12 O43570 2/20 0.34
CA7 P43166 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
CA9 Q16790 4/20 0.32
ENPP3 O14638 2/20 0.31
ENPP1 P22413 2/20 0.31
MAOB P27338 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2437745 0.96 TDP1 (0.37) CA1CA2TDP1NPC1RAB9A
SCHEMBL2437174 0.94 TDP1 (0.40) CA1CA2TDP1NPC1RAB9A
SCHEMBL4423397 0.94 TDP1 (0.40) CA1CA2TDP1NPC1RAB9A
Methane SCHEMBL4257313 0.93 TDP1 (0.39) CA1CA2TDP1NPC1RAB9A
Ethane SCHEMBL4847614 0.91 TDP1 (0.38) CA1CA2TDP1NPC1RAB9A
Trifluoromethanesulfonic Acid SCHEMBL3422375 0.91 CA1 (0.34) CA1CA2TDP1NPC1RAB9A
SCHEMBL2439557 0.89 CA1 (0.34) CA1CA2TDP1NPC1RAB9A
SCHEMBL2437564 0.87 CA1 (0.33) CA1CA2TDP1NPC1RAB9A
SCHEMBL2437600 0.87 CA1 (0.33) CA1CA2TDP1NPC1RAB9A
SCHEMBL3421608 0.87 CA1 (0.31) CA1CA2TDP1

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
US-7390613-B1 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2008-06-24 US claimed