SCHEMBL8192161

SCHEMBL8192161

O=C1NC(=S)SC1CCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.73
MAOB P27338 1/20 0.47
KMT2A Q03164 1/20 0.43
FASN P49327 1/20 0.41
PPARG P37231 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8165382 0.92 CA2 (0.68) CA2MAOBKMT2AFASNPPARG
SCHEMBL3073739 0.85 CA2 (1.00) CA2MAOBKMT2APPARGMAPT
SCHEMBL8177729 0.80 CA2 (0.57) CA2MAOBKMT2AMAPTGLA
SCHEMBL3075482 0.80 CA2 (0.56) CA2MAOBKMT2AMAPTKDM4E
SCHEMBL8179232 0.76 CA2 (0.82) CA2MAOBKMT2APPARGMAPT
SCHEMBL8208034 0.75 PPARG (0.51) CA2MAOBKMT2APPARGMAPT
SCHEMBL8173510 0.75 CA2 (0.62) CA2MAOBKMT2APPARGMAPT
SCHEMBL19217794 0.74 FFAR1 (0.56) MAOBPPARG
SCHEMBL4137563 0.72 KMT2A (0.62) KMT2AMAPTLMNAGLAALDH1A1
SCHEMBL4137564 0.72 KMT2A (0.62) KMT2AMAPTLMNAGLAALDH1A1

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