SCHEMBL9275484

SCHEMBL9275484

CCON(C)c1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.48
XDH P47989 6/20 0.47
PDE5A O76074 1/20 0.44
GDA Q9Y2T3 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
POLA1 P09884 1/20 0.41

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
SCHEMBL5133747 0.89 PDE5A (0.51) PNPXDHPDE5AGDAALDH1A1
SCHEMBL37959 0.85 PNP (0.44) PNPXDHPDE5AGDAALDH1A1
SCHEMBL9220662 0.82 PNP (0.42) PNPXDHPDE5AGDAALDH1A1
SCHEMBL595204 0.81 PNP (0.57) PNPXDHGDAALDH1A1GRIA1
Hydrochloric Acid SCHEMBL17186227 0.79 PNP (0.56) PNPXDHGDAALDH1A1GRIA1
Hydrochloric Acid SCHEMBL17186358 0.79 PNP (0.56) PNPXDHGDAALDH1A1GRIA1
SCHEMBL4999431 0.79 PNP (0.43) PNPXDHPDE5AGDAALDH1A1
SCHEMBL473739 0.77 PDE5A (0.47) PNPXDHPDE5AGDAALDH1A1
SCHEMBL9059986 0.77 XDH (0.55) PNPXDHPDE5AGDAALDH1A1
SCHEMBL8591405 0.74 GDA (0.52) PNPXDHGDAALDH1A1GRIA1

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-0662819-A1 AN ANTIVIRALLY ACTIVE PHARMACEUTICAL OIL-IN-WATER EMULSION CONTAINING 9- (2-HYDROXYETHOXY)METHYL]GUANINE (ACYCLOVIR) OR A SALT OR ESTER THEREOF. GEA FARMACEUTISK FABRIK AS (DK) 1995-07-19 EP claimed
WO-1994005258-A1 AN ANTIVIRALLY ACTIVE PHARMACEUTICAL OIL-IN-WATER EMULSION CONTAINING 9-[(2-HYDROXYETHOXY)METHYL]GUANINE (ACYCLOVIR) OR A SALT OR ESTER THEREOF A/S GEA FARMACEUTISK FABRIK (DK) 1994-03-17 WO claimed