SCHEMBL23587713

SCHEMBL23587713

Nc1nc2c(ncn2C2C=CC(CO)C2)c(=S)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.56
ALB P02768 1/20 0.56
PDE4D Q08499 1/20 0.56
ADCY5 O95622 6/20 0.44
ABCB1 P08183 5/20 0.41
BCHE P06276 1/20 0.41
HPRT1 P00492 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 1/20 0.37
AHCY P23526 1/20 0.36

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
SCHEMBL6554851 1.00 NR1I2 (0.56) NR1I2ALBPDE4DADCY5ABCB1
SCHEMBL6554844 1.00 NR1I2 (0.56) NR1I2ALBPDE4DADCY5ABCB1
Hydrochloric Acid SCHEMBL9287359 0.99 NR1I2 (0.55) NR1I2ALBPDE4DADCY5ABCB1
Carbovir SCHEMBL8447674 0.86 NR1I2 (0.56) NR1I2ALBPDE4DADCY5BCHE
Carbovir SCHEMBL3778804 0.86 NR1I2 (0.56) NR1I2ALBPDE4DADCY5BCHE
Carbovir SCHEMBL19237554 0.86 NR1I2 (0.56) NR1I2ALBPDE4DADCY5BCHE
Carbovir SCHEMBL180360 0.86 NR1I2 (0.56) NR1I2ALBPDE4DADCY5BCHE
Carbovir SCHEMBL9867194 0.86 NR1I2 (0.56) NR1I2ALBPDE4DADCY5BCHE
Abacavir SCHEMBL7795337 0.81 NR1I2 (0.54) NR1I2ALBPDE4DADCY5ABCB1
SCHEMBL7590599 0.78 PDE4D (0.70) NR1I2ALBPDE4DADCY5ABCB1

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
WO-2021133742-A1 STABILIZATION OF MHC COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 WO disclosed