SCHEMBL21333754

SCHEMBL21333754

COC(=O)C(C)C[C@H]1OC(n2ccc(-n3cncn3)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RY2 P41231 1/20 0.31
P2RY4 P51582 1/20 0.31
P2RY6 Q15077 1/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL21345593 0.88 MEN1 (0.36) MEN1USP2POLBKMT2AP2RY2
SCHEMBL21055674 0.88 MEN1 (0.36) MEN1USP2POLBKMT2AP2RY2
SCHEMBL21333757 0.80
SCHEMBL31388523 0.78 NT5E (0.36) P2RY2P2RY6LMNATHRB
SCHEMBL6760519 0.76 POLB (0.54) MEN1USP2POLBKMT2AP2RY6
SCHEMBL6760520 0.76 POLB (0.54) MEN1USP2POLBKMT2AP2RY6
SCHEMBL10459827 0.76 POLB (0.54) MEN1USP2POLBKMT2AP2RY6
SCHEMBL18512719 0.75 LMNA (0.42) LMNATHRBSMN1; SMN2HIF1A
SCHEMBL21345149 0.74 ALDH1A1 (0.38) P2RY2P2RY4P2RY6LMNA
SCHEMBL18503481 0.73 LMNA (0.32) LMNATHRBSMN1; SMN2HIF1A

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
EP-3762372-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO Emory University (US) 2021-01-13 EP disclosed
WO-2019173602-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-09-12 WO disclosed