SCHEMBL30414780

SCHEMBL30414780

Cc1cccc(-c2nc(-c3ccccc3)no2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.79
NPC1 O15118 11/20 0.79
NFKB1 P19838 3/20 0.70
NFKB2 Q00653 3/20 0.70
RELA Q04206 3/20 0.70
GRM5 P41594 1/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
TP53 P04637 6/20 0.68
HSD17B10 Q99714 4/20 0.67
KDM4E B2RXH2 3/20 0.67
TSHR P16473 3/20 0.67
NR1H4 Q96RI1 1/20 0.67
TDP1 Q9NUW8 3/20 0.65
GAA P10253 1/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP1A2 P05177 1/20 0.63
CASP3 P42574 3/20 0.62
SENP7 Q9BQF6 3/20 0.62

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
SCHEMBL29012669 1.00 RAB9A (0.79) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL13427308 0.93 RAB9A (0.77) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL13882259 0.91 RAB9A (0.77) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL12895791 0.88 TP53 (0.75) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL13415309 0.87 NR1H4 (0.80) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL19131261 0.87 NPC1 (0.66) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL13415310 0.85 TP53 (0.71) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL12420290 0.85 TP53 (0.75) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL14327855 0.84 RAB9A (0.71) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL60082 0.84 RAB9A (0.71) RAB9ANPC1NFKB1NFKB2RELA

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
CN-116217508-B Oxadiazole compound for protecting beta cells to treat type II diabetes, and preparation method and application thereof 浙江工业大学 2024-12-17 CN disclosed
CN-116217508-A Oxadiazole compound for protecting beta cells to treat type II diabetes, and preparation method and application thereof 浙江工业大学 2023-06-06 CN disclosed