SCHEMBL5010368

SCHEMBL5010368

OC[C@@H]1O[C@H](c2ncccn2)[C@H](F)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDA P32320 2/20 0.43
MAPT P10636 1/20 0.43
OGA O60502 5/20 0.38
SLC5A2 P31639 3/20 0.38
PDE2A O00408 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ADRA1A P35348 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37
PYGL P06737 2/20 0.37
CD99 P14209 1/20 0.35

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
SCHEMBL2185181 1.00 CDA (0.43) CDAMAPTOGASLC5A2PDE2A
SCHEMBL6927896 0.84 MAPT (0.50) CDAMAPTSLC5A2PYGL
SCHEMBL7199367 0.84 MAPT (0.50) CDAMAPTSLC5A2PYGL
SCHEMBL6784675 0.84 MAPT (0.50) CDAMAPTSLC5A2PYGL
SCHEMBL8722212 0.84 MAPT (0.50) CDAMAPTSLC5A2PYGL
SCHEMBL1525779 0.84 MAPT (0.50) CDAMAPTSLC5A2PYGL
SCHEMBL6785146 0.84 MAPT (0.50) CDAMAPTSLC5A2PYGL
SCHEMBL6421045 0.84 MAPT (0.50) CDAMAPTSLC5A2PYGL
SCHEMBL4666736 0.84 MAPT (0.50) CDAMAPTSLC5A2PYGL
SCHEMBL25608169 0.74 SLC5A2 (0.53) SLC5A2PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100848-A2 NOVEL AGENT FOR IN VIVO PET IMAGING OF TUMOR PROLIFERATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-08-21 WO disclosed
EP-1594987-A2 NUCLEIC ACID SEQUENCING METHODS, KITS AND REAGENTS Hoser, Mark J. (GB) 2005-11-16 EP disclosed
WO-2004074503-A2 NUCLEIC ACID SEQUENCING METHODS, KITS AND REAGENTS HOSER MARK J (GB) 2004-09-02 WO disclosed