SCHEMBL9011235

SCHEMBL9011235

O=C(NCCc1ccccc1)c1cncc(C(=O)NCCc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.73
NPC1 O15118 8/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
POLB P06746 1/20 0.68
HDAC2 Q92769 3/20 0.66
HDAC8 Q9BY41 3/20 0.66
HDAC6 Q9UBN7 3/20 0.66
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
EPHX2 P34913 1/20 0.61
KDM4E B2RXH2 1/20 0.58
KDM5A P29375 1/20 0.58

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
SCHEMBL7705627 0.87 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9011163 0.87 POLB (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12190896 0.85 SCN2A (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30969954 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2129716 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12190843 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL751214 0.83 HDAC2 (0.80) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12191001 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1568235 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4657655 0.81 KMT2A (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 8 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-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