SCHEMBL1761072

SCHEMBL1761072

COc1ncnc2sc(NC(=O)N3CCN(Cc4cccc(C)c4OC(=O)C(F)(F)F)CC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.39
BCHE P06276 4/20 0.39
FAAH O00519 4/20 0.38
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MAPK1 P28482 1/20 0.34
RORC P51449 2/20 0.34
DHODH Q02127 2/20 0.34
EPHX2 P34913 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
GPR6 P46095 2/20 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
SCHEMBL1761045 0.93 ACHE (0.39) ACHEBCHEFAAHMGLLKDM4E
SCHEMBL1761008 0.91 KDM4E (0.37) ACHEBCHEFAAHKDM4EALDH1A1
SCHEMBL1761071 0.87 FAAH (0.42) ACHEBCHEFAAHKDM4EALDH1A1
SCHEMBL1760992 0.84 RBP4 (0.34) FAAHLMNAMAPTPDCD1LG2CD274
SCHEMBL1761013 0.84 HSD17B10 (0.44) ACHEBCHEFAAHKDM4EALDH1A1
SCHEMBL1760885 0.83 RBP4 (0.40) FAAHALDH1A1MAPTMAPK1GPR6
Trifluoroacetic Acid SCHEMBL1761006 0.83 FAAH (0.39) ACHEBCHEFAAHKDM4EALDH1A1
SCHEMBL1760988 0.83 BCHE (0.43) ACHEBCHEFAAHKDM4EALDH1A1
SCHEMBL1761054 0.81 FAAH (0.52) FAAHALDH1A1LMNAMAPTPDCD1LG2
SCHEMBL1761025 0.80 FAAH (0.42) FAAHKDM4EALDH1A1HTTPDCD1LG2

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