SCHEMBL9011305

SCHEMBL9011305

CC(C)(C)C(=O)Oc1ccc(CCNC(=O)c2cccnc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
MEN1 O00255 4/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 2/20 0.63
MAPK1 P28482 1/20 0.59
EPHX2 P34913 1/20 0.55
GAA P10253 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
USP2 O75604 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ESRRG P62508 1/20 0.49

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
SCHEMBL9011252 0.86 MAPK1 (0.71) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9011217 0.81 KMT2A (0.79) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11759022 0.81 KMT2A (0.67) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL5646249 0.80 KMT2A (0.66) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11766155 0.79 KMT2A (0.62) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2129716 0.79 RAB9A (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL30969954 0.79 RAB9A (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL11770313 0.78 RAB9A (0.73) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL1584859 0.78 KMT2A (0.77) KMT2AMEN1RAB9ANPC1SMN1; SMN2
Iodide SCHEMBL9011303 0.78 SMN1; SMN2 (0.47) KMT2AMEN1RAB9ANPC1SMN1; 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 10 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-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-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-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