SCHEMBL9011183

SCHEMBL9011183

O=C(NCCc1ccccc1)C1=CN(Cc2ccccc2)C=CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9011348 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1HDAC2
SCHEMBL22092518 0.81 NOTUM (0.40) SMN1; SMN2ALDH1A1LMNA
SCHEMBL17785185 0.78 LMNA (0.43) SMN1; SMN2TSHRLMNA
SCHEMBL2205423 0.78 ADRA1D (0.41) GAA
Hydrochloric Acid SCHEMBL3803201 0.77 ADRA1D (0.40) GAA
SCHEMBL9011221 0.77 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1HDAC2
SCHEMBL9554890 0.75 ALDH1A1 (0.46) L3MBTL1HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL9869767 0.73 HDAC3 (0.49) L3MBTL1HDAC2HDAC8HDAC6TSHR
SCHEMBL9011332 0.72 KDM4E (0.49) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL9011159 0.71 RAB9A (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1HDAC2

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
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
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