SCHEMBL23587728

SCHEMBL23587728

Nc1nc(NCS(=O)(=O)O)c2c(n1)N(C1C=CC(CO)C1)CN2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ABCB1 P08183 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
SCHEMBL23587705 0.83 NR1I2 (0.35) NR1I2ALBPDE4D
SCHEMBL18481280 0.81 NR1I2 (0.40) NR1I2ALBPDE4D
SCHEMBL18480838 0.80 NR1I2 (0.38) NR1I2ALBPDE4D
SCHEMBL18480732 0.77 NR1I2 (0.37) NR1I2ALBPDE4D
SCHEMBL23587615 0.76 NR1I2 (0.35) NR1I2ALBPDE4D
SCHEMBL23587628 0.76 NOS1 (0.36) NR1I2ALBPDE4D
SCHEMBL23587701 0.75 NR1I2 (0.36) NR1I2ALBPDE4D
SCHEMBL18482179 0.74 NR1I2 (0.35) NR1I2ALBPDE4D
SCHEMBL23587694 0.74 NR1I2 (0.56) NR1I2ALBPDE4DABCB1
SCHEMBL18482180 0.73 NR1I2 (0.35) NR1I2ALBPDE4D

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
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