SCHEMBL28987828

SCHEMBL28987828

CCOC(=O)Cc1nnc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.95

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.95
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HPGD P15428 5/20 0.63
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
TP53 P04637 2/20 0.63
HSD17B10 Q99714 2/20 0.63
MAPT P10636 2/20 0.63
TARBP2 Q15633 1/20 0.52
NOTUM Q6P988 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL28987855 0.97 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL28987838 0.89 SMN1; SMN2 (0.80) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL15919093 0.86 SMN1; SMN2 (0.76) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL28987826 0.86 SMN1; SMN2 (0.76) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL15272231 0.86 SMN1; SMN2 (0.76) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL24987981 0.86 SMN1; SMN2 (0.76) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL28987841 0.85 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL28987857 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL28987859 0.84 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL29712398 0.83 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2AHPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835656-A 1,3, 4-oxadiazole ethyl acetate and synthesis method thereof 天津中医药大学 2022-08-02 CN disclosed