SCHEMBL8724787

SCHEMBL8724787

O=C(NCCc1ccc(O)c(O)c1)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
MEN1 O00255 5/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MAPT P10636 2/20 0.68
GAA P10253 2/20 0.67
MAPK1 P28482 1/20 0.67
EPHX2 P34913 2/20 0.59
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
THRB P10828 1/20 0.55
SLC7A5 Q01650 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL30482574 1.00 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9011223 0.86 MAPK1 (0.83) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9011217 0.85 KMT2A (0.79) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL30668181 0.83 MEN1 (0.82) KMT2AMEN1RAB9AMAPTGAA
SCHEMBL3580532 0.83 MAPT (0.74) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL30969954 0.82 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2129716 0.82 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11770313 0.82 RAB9A (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL16417857 0.81 CA1 (0.69) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL1584859 0.81 KMT2A (0.77) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014115137-A1 SKIN ANTI-AGING COSMETIC COMPOSITION ZABARI EREZ (IL) 2014-07-31 WO disclosed
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 EP disclosed
US-5525727-A ANALGESIC OR NARCOTIC ANTAGONIST UNIVERSITY OF FLORIDA (US) 1996-06-11 US disclosed
EP-0110955-B1 BRAIN-SPECIFIC DRUG DELIVERY UNIV FLORIDA (US) 1995-08-23 EP disclosed
US-5187158-A Sustained delivery of viricides UNIVERSITY OF FLORIDA (US) 1993-02-16 US disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US disclosed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 US disclosed
US-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 US disclosed
US-4880816-A Brain-specific delivery of dopamine utilizing dihydropyridine/pyridinium salt-type redox carriers UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
US-4880921-A Brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1989-11-14 US disclosed
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 EP disclosed
EP-0327766-A2 Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1989-08-16 EP disclosed
US-4824850-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1989-04-25 US disclosed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US disclosed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed
US-4479932-A DIHYDROPYRIDINE PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1984-10-30 US disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO disclosed