SCHEMBL29517879

SCHEMBL29517879

O=C(NCCc1ccccn1)c1nc(-c2ccccc2)no1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
PKM P14618 2/20 0.62
LMNA P02545 1/20 0.62
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.52
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 1/20 0.48
PTGFR P43088 1/20 0.48
NAMPT P43490 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
SCHEMBL29517953 0.91 KMT2A (0.60) KMT2APKMLMNARAB9ANPC1
SCHEMBL29517835 0.91 KMT2A (0.60) KMT2APKMLMNARAB9ANPC1
SCHEMBL29517972 0.87 KMT2A (0.56) KMT2APKMLMNARAB9ANPC1
SCHEMBL29517825 0.83 SMN1; SMN2 (0.73) KMT2APKMLMNARAB9ANPC1
SCHEMBL28607764 0.82 HIF1A (0.65) KMT2ARAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL28606422 0.80 HIF1A (0.61) KMT2APKMLMNARAB9ANPC1
SCHEMBL1394203 0.78 RAB9A (0.74) KMT2ALMNARAB9ANPC1MEN1
SCHEMBL483578 0.78 RAB9A (0.74) KMT2ALMNARAB9ANPC1MEN1
SCHEMBL1476766 0.77 RAB9A (0.80) KMT2ALMNARAB9ANPC1SMN1; SMN2
SCHEMBL29517890 0.77 KMT2A (0.57) KMT2APKMLMNARAB9ANPC1

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-114213403-B 1,2,4-oxadiazole-5-formamide derivative and preparation method and application thereof 贵州大学 2022-10-25 CN claimed
CN-114213403-B 1,2,4-oxadiazole-5-formamide derivative and preparation method and application thereof 贵州大学 2022-10-25 CN disclosed
CN-114213403-A 1,2, 4-oxadiazole-5-formamide derivatives and preparation method and application thereof 贵州大学 2022-03-22 CN disclosed