SCHEMBL8639928

SCHEMBL8639928

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(N(C)C)C(O)C(C)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 1.00
PAX8 Q06710 5/20 1.00
HSP90AA1 P07900 4/20 1.00
MEN1 O00255 9/20 0.82
THRB P10828 9/20 0.82
KMT2A Q03164 9/20 0.82
BLM P54132 8/20 0.82
RECQL P46063 7/20 0.82
BRCA1 P38398 6/20 0.82
SMN1; SMN2 Q16637 6/20 0.82
HIF1A Q16665 6/20 0.82
MAPT P10636 6/20 0.82
TDP1 Q9NUW8 6/20 0.82
CYP3A4 P08684 4/20 0.82
USP2 O75604 4/20 0.82
MAPK1 P28482 4/20 0.82
TOP2A P11388 4/20 0.82
HTT P42858 4/20 0.82
CYP1A2 P05177 3/20 0.82
CHRM1 P11229 3/20 0.82

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
SCHEMBL29338082 1.00 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1THRB
Hydrochloric Acid SCHEMBL11594921 0.99 S100A4 (0.99) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL27837137 0.94 S100A4 (0.89) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL380061 0.94 S100A4 (0.88) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL27493260 0.93 S100A4 (0.87) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL29648501 0.92 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL1485948 0.92 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL7200368 0.92 S100A4 (0.87) S100A4PAX8HSP90AA1MEN1THRB
Hydrochloric Acid SCHEMBL31237243 0.92 S100A4 (0.99) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL27509581 0.92 S100A4 (0.85) S100A4PAX8HSP90AA1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3149190-A1 IDENTIFICATION OF NOVEL ANTI-PERSISTER ACTIVITY FOR BORRELIA BURGDORFERI The Johns Hopkins University (US) 2017-04-05 EP claimed
US-20170058314-A1 NOVEL METHODOLOGY FOR IDENTIFYING ANTI-PERSISTER ACTIVITY AND ANTIMICROBIAL SUSCEPTIBILITY FOR BORRELIA BURGDORFERI AND OTHER BACTERIA ZHANG YING (US) 2017-03-02 US claimed
WO-2015171225-A1 IDENTIFICATION OF NOVEL ANTI-PERSISTER ACTIVITY FOR BORRELIA BURGDORFERI THE JOHNS HOPKINS UNIVERSITY (US) 2015-11-12 WO claimed
US-9977014-B2 Nanoparticle sensor for nucleic acid-protein interaction AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-22 US disclosed
EP-3321371-A1 NOVEL METHODS FOR RAPID DRUG SUSCEPTIBILITY TESTING AND DRUG SCREENS FOR GROWING AND NON-GROWING CELLS OF PROKARYOTIC AND EUKARYOTIC ORIGIN Zhang, Ying (US) 2018-05-16 EP disclosed
EP-3149190-A1 IDENTIFICATION OF NOVEL ANTI-PERSISTER ACTIVITY FOR BORRELIA BURGDORFERI The Johns Hopkins University (US) 2017-04-05 EP disclosed
US-20170058314-A1 NOVEL METHODOLOGY FOR IDENTIFYING ANTI-PERSISTER ACTIVITY AND ANTIMICROBIAL SUSCEPTIBILITY FOR BORRELIA BURGDORFERI AND OTHER BACTERIA ZHANG YING (US) 2017-03-02 US disclosed
US-20170058314-A1 NOVEL METHODOLOGY FOR IDENTIFYING ANTI-PERSISTER ACTIVITY AND ANTIMICROBIAL SUSCEPTIBILITY FOR BORRELIA BURGDORFERI AND OTHER BACTERIA ZHANG YING (US) 2017-03-02 US disclosed
US-20170058314-A1 NOVEL METHODOLOGY FOR IDENTIFYING ANTI-PERSISTER ACTIVITY AND ANTIMICROBIAL SUSCEPTIBILITY FOR BORRELIA BURGDORFERI AND OTHER BACTERIA ZHANG YING (US) 2017-03-02 US disclosed
WO-2015171225-A1 IDENTIFICATION OF NOVEL ANTI-PERSISTER ACTIVITY FOR BORRELIA BURGDORFERI THE JOHNS HOPKINS UNIVERSITY (US) 2015-11-12 WO disclosed
US-20140335510-A1 NANOPARTICLE SENSOR FOR NUCLEIC ACID-PROTEIN INTERACTION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-11-13 US disclosed
EP-0345598-B1 Anthracycline derivatives with a cytostatic activity BEHRINGWERKE AG (DE) 1998-08-12 EP disclosed
EP-0270992-B1 Anthracycline derivatives with a cytostatic activity BEHRINGWERKE AG (DE) 1994-06-08 EP disclosed
US-5260425-A Anthracycline derivatives having cytostatic activity BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
US-4948880-A ANTITUMOR AGENTS, REDUCED SIDE EFFECTS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1990-08-14 US disclosed
EP-0345598-A2 Anthracycline derivatives with a cytostatic activity BEHRINGWERKE Aktiengesellschaft (DE) 1989-12-13 EP disclosed
EP-0298385-A2 Cyctostatic anthracyclin derivatives BEHRINGWERKE Aktiengesellschaft (DE) 1989-01-11 EP disclosed
EP-0270992-A2 Anthracycline derivatives with a cytostatic activity BEHRINGWERKE Aktiengesellschaft (DE) 1988-06-15 EP disclosed