SCHEMBL7744362

SCHEMBL7744362

O=C(O)c1cc(N=C=S)cc(B(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TTR P02766 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TPMT P51580 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3401089 0.84 MIF (0.43) MIFHSD17B10TTRTSHRCA12
SCHEMBL3398928 0.84 MIF (0.43) MIFHSD17B10TTRTSHRCA12
SCHEMBL3900460 0.82 MIF (0.41) MIFHSD17B10TTRTSHRCA12
SCHEMBL8764411 0.76 HSD17B10 (0.32) MIFHSD17B10TTRMEN1KMT2A
SCHEMBL9446549 0.76 MIF (0.36) MIFHSD17B10TTRTSHRCA12
SCHEMBL9446550 0.76 MIF (0.36) MIFHSD17B10TTRTSHRCA12
SCHEMBL918608 0.75 CA12 (0.46) HSD17B10TTRTSHRCA12CA1
SCHEMBL6733033 0.75 CA1 (0.46) HSD17B10TTRTSHRCA12CA1
SCHEMBL8762618 0.71 HSD17B10 (0.33) MIFHSD17B10CA1CA2MEN1
SCHEMBL687302 0.70 MIF (0.52) MIFHSD17B10CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452858-B1 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INT BV (NL) 1997-07-16 EP claimed
EP-0452858-A2 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INTERNATIONAL B.V. (NL) 1991-10-23 EP claimed
EP-0741734-B1 PHENYLBORONIC ACID COMPLEXES PROLINX INC (US) 2001-04-04 EP disclosed
EP-0923591-A4 NOVEL BORONIC ACID-CONTAINING NUCLEIC ACIDS AND THEIR USE AS DIAGNOSTIC AGENTS PROLINX INC (US) 2001-01-31 EP disclosed
EP-0923591-A1 NOVEL BORONIC ACID-CONTAINING NUCLEIC ACIDS AND THEIR USE AS DIAGNOSTIC AGENTS PROLINX, INC. (US) 1999-06-23 EP disclosed
US-5876938-A Use of boron-containing polynucleotides as diagnostic agents PROLINX, INCORPORATED (US) 1999-03-02 US disclosed
US-5831045-A Boronic acid-containing polynucleotides PORLINX, INCORPORATED (US) 1998-11-03 US disclosed
US-5831046-A Boronic acid-contaning nucleic acid monomers PROLINX, INCORPORATED (US) 1998-11-03 US disclosed
WO-1998005672-A1 NOVEL BORONIC ACID-CONTAINING NUCLEIC ACIDS AND THEIR USE AS DIAGNOSTIC AGENTS PROLINX INCORPORATED (US) 1998-02-12 WO disclosed
US-5677431-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-10-14 US disclosed
EP-0452858-B1 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INT BV (NL) 1997-07-16 EP disclosed
US-5623055-A Phenylboronic acid complexes derived from aminosalicylic acid for bioconjugate preparation PROLINX, INC. (US) 1997-04-22 US disclosed
US-5594111-A Phenylboronic acid complexes for bioconjugate preparation PROLINX, INC. (US) 1997-01-14 US disclosed
EP-0741734-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1996-11-13 EP disclosed
WO-1995020591-A1 PHENYLBORONIC ACID COMPLEXES PROLINX, INC. (US) 1995-08-03 WO disclosed
US-5183653-A BORONIC ACID ADDUCTS OF METAL DIOXIME COMPLEXES USEFUL IN LABELLING PROTEINS AND OTHER AMINE-CONTAINING COMPOUNDS E. R. SQUIBB & SONS, INC. (US) 1993-02-02 US disclosed
EP-0452858-A2 Metal complexes of acid adducts to dioxime ligands useful in labelling proteins and other amine-containing compounds BRACCO INTERNATIONAL B.V. (NL) 1991-10-23 EP disclosed