SCHEMBL10244712

SCHEMBL10244712

C[C@@H]1NC(=O)O[C@@H]1c1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
CYP19A1 P11511 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
AKT1 P31749 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3119262 0.77 GRM5 (0.49)
SCHEMBL4291 0.77 GRM5 (0.49)
SCHEMBL8532996 0.77 GRM5 (0.49)
SCHEMBL6374631 0.77 GRM5 (0.49)
SCHEMBL5544656 0.77 GRM5 (0.49)
SCHEMBL338191 0.77 GRM5 (0.49)
SCHEMBL4687 0.77 GRM5 (0.49)
SCHEMBL5835621 0.77 GRM5 (0.49)
SCHEMBL8192290 0.77 GRM5 (0.49)
SCHEMBL27504027 0.75 GRM5 (0.48)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed