SCHEMBL16718754

SCHEMBL16718754

O=C(NNc1ncccn1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.60
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
GAA P10253 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.50
KMT2A Q03164 3/20 0.48
HPGD P15428 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL4744989 0.83 HDAC6 (0.59) ALDH1A1MAPK1
SCHEMBL13385745 0.81 GAA (0.66) PTGS2RAB9ANPC1GAAKMT2A
SCHEMBL997872 0.80 RAB9A (0.59) RAB9ANPC1KMT2APKMMEN1
SCHEMBL29212237 0.79 KMT2A (0.56) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL29238957 0.78 RAB9A (0.57) RAB9ANPC1KMT2APKMMEN1
SCHEMBL9129420 0.77 LMNA (0.41) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL400890 0.76 RAB9A (0.77) PTGS2RAB9ANPC1GAACTDSP1
SCHEMBL24931101 0.76 TLR7 (0.78) RAB9ANPC1KMT2AHPGDTLR7
SCHEMBL425101 0.75 PTGS2 (1.00) PTGS2RAB9ANPC1GAACTDSP1
SCHEMBL10720732 0.74 RAB9A (0.71) RAB9ANPC1KMT2APKMMEN1

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
CN-119264158-A Pyrimidyl oxadiazolone copper (II) metal organic complex and preparation method and application thereof 安庆师范大学 2025-01-07 CN disclosed
EP-3082821-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions, Inc. (US) 2016-10-26 EP disclosed
WO-2015073797-A1 ANTIPARASITIC COMPOUNDS SCYNEXIS INC. (US) 2015-05-21 WO disclosed