SCHEMBL4734342

SCHEMBL4734342

Clc1cc(C2SCCCS2)cc2c1OCC2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 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
SCHEMBL4738465 0.78
SCHEMBL4736793 0.73 PRKCI (0.42)
SCHEMBL29797722 0.69 HTR3A (0.39) NOTUM
SCHEMBL14571701 0.69 QDPR (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL14758337 0.66 MAPT (0.36) NOTUM
SCHEMBL12330400 0.66 NOTUM (0.36) NOTUM
SCHEMBL15427984 0.66 CYP3A4 (0.39) NOTUM
SCHEMBL8363222 0.64 HTR2A (0.36) NOTUMPDE4BSLC5A1SLC5A2
SCHEMBL23505785 0.63 NOTUM (0.49) NOTUMPDE4A
SCHEMBL8363230 0.62 ALDH1A1 (0.38) NOTUM

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-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed