SCHEMBL9011223

SCHEMBL9011223

COc1cc(CCNC(=O)c2cccnc2)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.83
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 1/20 0.60
GAA P10253 2/20 0.60
TDP1 Q9NUW8 1/20 0.56
MGAM O43451 3/20 0.54
AMY1A P0DUB6 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
EPHX2 P34913 1/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL1971770 0.91 MAPK1 (1.00) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL5726019 0.86 ALDH1A1 (0.63) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL8724787 0.86 KMT2A (0.69) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL30482574 0.86 KMT2A (0.69) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL9011269 0.82 MAPK1 (0.76) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL14082528 0.79 MAPK1 (0.78) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL9011252 0.79 MAPK1 (0.71) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL9011217 0.79 KMT2A (0.79) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL1246983 0.79 MAPK1 (0.78) MAPK1NPC1SMN1; SMN2CYP1A2CYP3A4
Iodide SCHEMBL9011306 0.78 CA1 (0.52) MAPK1NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5008257-A Penicillin or cephalosporin antibiotics UNIVERSITY OF FLORIDA (US) 1991-04-16 US disclosed
US-4900837-A Brain-specific drug delivery of steroid sex hormones cleaved from pyridinium carboxylates and dihydro-pyridine carboxylate precursors UNIVERSITY OF FLORIDA (US) 1990-02-13 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
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
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