SCHEMBL2436554

SCHEMBL2436554

CC(S(=O)(=O)[O-])S(=O)(=O)[O-].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 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
ADAMTS4 O75173 1/20 0.33
ENPP3 O14638 2/20 0.32
ENPP1 P22413 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
Ethane SCHEMBL4847614 0.89 TDP1 (0.38) CA1CA2TDP1ENPP3ENPP1
SCHEMBL2437174 0.89 TDP1 (0.40) CA1CA2TDP1ENPP3ENPP1
SCHEMBL4423397 0.89 TDP1 (0.40) CA1CA2TDP1ENPP3ENPP1
Methane SCHEMBL4257313 0.88 TDP1 (0.39) CA1CA2TDP1ENPP3ENPP1
Trifluoromethanesulfonic Acid SCHEMBL3422375 0.86 CA1 (0.34) CA1CA2TDP1ENPP3ENPP1
SCHEMBL2439980 0.86 CA1 (0.34) CA1CA2TDP1ENPP3ENPP1
SCHEMBL2437745 0.85 TDP1 (0.37) CA1CA2TDP1ENPP3ENPP1
SCHEMBL2439557 0.85 CA1 (0.34) CA1CA2TDP1ENPP3ENPP1
SCHEMBL4839664 0.84 CA1 (0.36) CA1CA2TDP1ENPP3ENPP1
SCHEMBL2437564 0.82 CA1 (0.33) CA1CA2TDP1MEN1KMT2A

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
EP-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP claimed