SCHEMBL8179232

SCHEMBL8179232

O=C1NC(=S)SC1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.82
MAOB P27338 1/20 0.55
PPARG P37231 4/20 0.52
FFAR1 O14842 4/20 0.51
KMT2A Q03164 1/20 0.50
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL3073739 0.91 CA2 (1.00) CA2MAOBPPARGFFAR1KMT2A
SCHEMBL8172791 0.81 CA2 (0.71) CA2MAOBPPARGFFAR1KMT2A
SCHEMBL12961220 0.81 CA2 (0.71) CA2MAOBPPARGKMT2AMAPT
SCHEMBL13598470 0.78 CA2 (0.51) CA2PPARGFFAR1KMT2A
SCHEMBL8173454 0.77 CA2 (0.61) CA2PPARGFFAR1KMT2AMAPT
SCHEMBL8192161 0.76 CA2 (0.73) CA2MAOBPPARGKMT2AMAPT
SCHEMBL8173637 0.75 CA2 (0.62) CA2MAOBPPARGKMT2AMAPT
SCHEMBL13846966 0.75 CA2 (0.62) CA2PPARGFFAR1KMT2AMAPT
SCHEMBL8172141 0.75 CA2 (0.62) CA2MAOBPPARGKMT2AMAPT
SCHEMBL8172144 0.75 CA2 (0.62) CA2MAOBPPARGKMT2AMAPT

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-2000018748-A1 RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed