SCHEMBL1761013

SCHEMBL1761013

COc1ncnc2sc(NC(=O)N3CCN(Cc4cc(F)ccc4OC(=O)C(F)(F)F)CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GPR6 P46095 2/20 0.40
FAAH O00519 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
HPGDS O60760 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
PDGFRB P09619 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL1760885 0.92 RBP4 (0.40) HSD17B10ALDH1A1GPR6FAAHMAPT
SCHEMBL1761031 0.87 HSD17B10 (0.43) HSD17B10ALDH1A1GPR6FAAHMEN1
SCHEMBL1761045 0.85 ACHE (0.39) ALDH1A1GPR6FAAHKDM4EACHE
SCHEMBL1761072 0.84 ACHE (0.39) ALDH1A1GPR6FAAHKDM4EMAPT
SCHEMBL1760992 0.83 RBP4 (0.34) GPR6FAAHMAPTADORA2APDGFRB
SCHEMBL1761008 0.82 KDM4E (0.37) ALDH1A1GPR6FAAHMEN1KMT2A
SCHEMBL1760930 0.82 FAAH (0.45) FAAHMEN1KMT2AADORA2AADORA1
SCHEMBL1760988 0.80 BCHE (0.43) ALDH1A1GPR6FAAHKDM4EACHE
SCHEMBL1761017 0.79 CYP2D6 (0.44) ALDH1A1FAAHADORA2AADORA1ADORA2B
SCHEMBL1760878 0.79 FAAH (0.47) FAAHMAPTADORA2AADORA1ADORA2B

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
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed