SCHEMBL28586056

SCHEMBL28586056

CCOC(O)(O)CC(=O)CBn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ PNP P00491 6/20 0.43
▸ BLM P54132 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ EDNRA P25101 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPRT1 P00492 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ VCP P55072 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TK1 P04183 1/20 0.40

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
SCHEMBL28591797 0.82 PNP (0.52) MEN1KMT2APNPBLMUSP2
SCHEMBL6268785 0.71 PNP (0.55) MEN1KMT2APNPBLMUSP2
SCHEMBL8905863 0.70 PNP (0.51) MEN1KMT2APNPBLMUSP2
SCHEMBL8630516 0.69 MEN1 (0.59) MEN1KMT2APNPBLMUSP2
SCHEMBL5503608 0.67 HPRT1 (0.56) MEN1KMT2APNPBLMUSP2
SCHEMBL15643286 0.67 MEN1 (0.58) MEN1KMT2APNPBLMUSP2
SCHEMBL8190548 0.67 PNP (0.65) MEN1KMT2APNPBLMUSP2
SCHEMBL9417217 0.67 MEN1 (0.45) MEN1KMT2APNPBLMUSP2
SCHEMBL28591909 0.66 MEN1 (0.47) MEN1KMT2APNPBLMUSP2
SCHEMBL19258972 0.66 MEN1 (0.47) MEN1KMT2APNPBLMUSP2

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-112367988-A Compositions and methods relating to ethoxydihydroxybutanone derivatives 芝加哥大学 2021-02-12 — — CN disclosed
Send feedback