SCHEMBL1443489

SCHEMBL1443489

C=CS(=O)(=O)c1cccc(N2C(=O)c3c(S(=O)(=O)O)c(N)c4c(S(=O)(=O)O)cccc4c3C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ TTR P02766 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KEAP1 Q14145 2/20 0.32
▸ NFE2L2 Q16236 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 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
SCHEMBL27851603 0.75 NPC1 (0.42) CA1CA2CA7CA12CA9
SCHEMBL28451650 0.74 KMT2A (0.37) CA1CA2CA7CA12CA9
SCHEMBL28898006 0.73 KMT2A (0.36) CA1CA2CA7CA12CA9
Lithium Ion SCHEMBL2890318 0.73 CA1 (0.40) CA1CA2CA7CA12CA9
SCHEMBL13870630 0.69 KMT2A (0.39) CA1CA2CA7CA12CA9
SCHEMBL31305335 0.67 CA1 (0.50) CA1CA2CA7CA12CA9
Lithium Ion SCHEMBL29875131 0.67 CLTC (0.44) CA1CA2CA7CA12CA9
SCHEMBL3678283 0.67 SNCA (0.35) CA1CA2CA9TTRMEN1
SCHEMBL9009874 0.66 TTR (0.51) CA1CA2CA9TTRMEN1
SCHEMBL3505111 0.62 TTR (0.53) TTRMEN1KMT2AAURKAAURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208192-A1 NUCLEIC ACID AMPLIFICATION EMPLOYING TEMPERATURE OSCILLATION ENIGMA DIAGNOSTICS LIMITED (GB) 2012-08-16 — — US disclosed
EP-2475783-A1 NUCLEIC ACID AMPLIFICATION EMPLOYING TEMPERATURE OSCILLATION Enigma Diagnostics Limited (GB) 2012-07-18 — — EP disclosed
WO-2011030145-A1 NUCLEIC ACID AMPLIFICATION EMPLOYING TEMPERATURE OSCILLATION ENIGMA DIAGNOSTICS LIMITED (GB) 2011-03-17 — — WO disclosed
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