SCHEMBL8535457

SCHEMBL8535457

CCCCCCCCCCNc1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 1.00
POLA1 P09884 1/20 0.59
GDA Q9Y2T3 1/20 0.54

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
SCHEMBL4384744 1.00 XDH (1.00) XDHPOLA1GDA
Hydrochloric Acid SCHEMBL258899 0.99 XDH (0.97) XDHPOLA1GDA
SCHEMBL249649 0.99 XDH (1.00) XDHPOLA1GDA
Hydrochloric Acid SCHEMBL30610398 0.97 XDH (0.95) XDHPOLA1GDA
SCHEMBL6272738 0.95 XDH (1.00) XDHPOLA1GDA
Acetic Acid SCHEMBL27671662 0.94 XDH (0.88) XDHPOLA1GDA
SCHEMBL667798 0.89 XDH (0.84) XDHPOLA1GDA
SCHEMBL16197989 0.87 XDH (0.77) XDHGDA
SCHEMBL27959660 0.87 XDH (0.77) XDHPOLA1GDA
SCHEMBL5935074 0.86 XDH (0.78) XDHPOLA1GDA

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
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed