SCHEMBL20506114

SCHEMBL20506114

NCCN1C(=O)c2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(c23)C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 4/20 0.50
▸ HEXB P07686 4/20 0.50
▸ NT5E P21589 1/20 0.41
▸ CLTC Q00610 11/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LCK P06239 1/20 0.35

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
SCHEMBL21404284 0.83 CLTC (0.40) HEXAHEXBNT5ECLTCCA12
Ethylenediamine SCHEMBL21957845 0.82 CLTC (0.39) HEXAHEXBCLTCCA12CA1
SCHEMBL27404612 0.82 CLTC (0.39) HEXAHEXBCLTCCA12CA1
SCHEMBL28781804 0.76 HEXA (0.57) HEXAHEXBCLTCMEN1POLB
SCHEMBL11434901 0.72 MAPT (0.69) CLTCMEN1POLBMAPTAHR
SCHEMBL14636024 0.69 CLTC (0.79) CLTCCA12CA1CA2CA9
SCHEMBL27429842 0.69 HEXA (0.43) HEXAHEXBCLTCCA12CA1
SCHEMBL6390858 0.68 NT5E (0.44) NT5ELCK
SCHEMBL2405485 0.68 MEN1 (0.49) NT5EMEN1MAPTKMT2ANPSR1
SCHEMBL14635627 0.68 CLTC (0.78) CLTCCA12CA1CA2CA9

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-3377047-A1 NANOPARTICLES WITH ACTIVE TARGETING Cristal Delivery B.V. (NL) 2018-09-26 — — EP disclosed
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