SCHEMBL8410062

SCHEMBL8410062

Nc1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(N)nc(Nc5ccccc5)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1.[NaH].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ NSD2 O96028 2/20 0.43
▸ CASP6 P55212 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CDK9 P50750 1/20 0.42

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
SCHEMBL29970929 0.99 TERT (0.44) TERTENPP2MAPTAPEX1NSD2
SCHEMBL2203103 0.99 TERT (0.44) TERTENPP2MAPTAPEX1NSD2
SCHEMBL15783862 0.99 TERT (0.44) TERTENPP2MAPTAPEX1NSD2
Potassium SCHEMBL2219790 0.98 TERT (0.43) TERTENPP2MAPTAPEX1NSD2
SCHEMBL8410087 0.98 CA12 (0.46) TERTENPP2MAPTAPEX1NSD2
SCHEMBL2203572 0.98 CA12 (0.46) TERTENPP2MAPTAPEX1NSD2
SCHEMBL15782099 0.94 CA12 (0.41) TERTENPP2MAPTAPEX1NSD2
SCHEMBL16363762 0.94 CHAT (0.48) TERTENPP2MAPTAPEX1NSD2
SCHEMBL1447494 0.94 ENPP2 (0.48) ENPP2MAPTAPEX1NSD2CASP6
SCHEMBL1169592 0.94 ENPP2 (0.48) ENPP2MAPTAPEX1NSD2CASP6

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
EP-0550048-B2 Inorganic ion exchange material and detergent composition KAO CORP (JP) 1999-07-28 — — EP disclosed
US-5427711-A An ion exchanger comprising the oxide of sodium and/or potassium, calcium and/or magnesium, silicon; alkalinity, water insolubility KAO CORPORATION (JP) 1995-06-27 — — US disclosed
EP-0550048-A1 Inorganic ion exchange material and detergent composition Kao Corporation (JP) 1993-07-07 — — EP disclosed
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