SCHEMBL380557

SCHEMBL380557

CC(OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.60
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
MTOR P42345 1/20 0.54
MDM2 Q00987 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
ST6GAL1 P15907 9/20 0.48
TSHR P16473 1/20 0.48
GLA P06280 1/20 0.48
P2RY2 P41231 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL800855 0.90 POLG (0.55) NT5ELMNATHRBMTORMDM2
SCHEMBL13173263 0.90 POLG (0.55) NT5ELMNATHRBMTORMDM2
SCHEMBL800670 0.90 POLG (0.55) NT5ELMNATHRBMTORMDM2
SCHEMBL1274372 0.90 POLG (0.55) NT5ELMNATHRBMTORMDM2
SCHEMBL800406 0.90 POLG (0.55) NT5ELMNATHRBMTORMDM2
SCHEMBL1763223 0.88 NT5E (0.64) NT5ELMNATHRBMTORMDM2
SCHEMBL3789915 0.88 NT5E (0.64) NT5ELMNATHRBMTORMDM2
SCHEMBL3926895 0.88 NT5E (0.61) NT5ELMNATHRBMTORMDM2
SCHEMBL1763085 0.88 NT5E (0.64) NT5ELMNATHRBMTORMDM2
SCHEMBL15045996 0.86 NT5E (0.59) NT5ELMNATHRBMTORMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408927-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-01-25 EP disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 WO disclosed