SCHEMBL2000665

SCHEMBL2000665

O=C(c1ncc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL2006267 0.95 FAAH (0.35) FAAHSCDSCD5ALDH1A1LMNA
SCHEMBL2004961 0.92 FAAH (0.33) FAAHSCDSCD5ALDH1A1LMNA
SCHEMBL2003449 0.91 LMNA (0.38) FAAHSCDSCD5ALDH1A1LMNA
SCHEMBL2012375 0.91 FAAH (0.37) FAAHSCDSCD5ALDH1A1LMNA
SCHEMBL2008038 0.90 FAAH (0.39) L3MBTL1FAAHALDH1A1LMNAMAPT
SCHEMBL2005377 0.90 L3MBTL1 (0.36) L3MBTL1FAAHALDH1A1LMNAMAPT
SCHEMBL2009971 0.90 L3MBTL1 (0.37) L3MBTL1FAAHALDH1A1LMNAMAPT
SCHEMBL2010346 0.90 PLA2G2A (0.37) FAAHSCDSCD5ALDH1A1LMNA
SCHEMBL2002426 0.89 SLC26A4 (0.34) FAAHSCDSCD5LMNAMAPT
SCHEMBL2002081 0.88 L3MBTL1 (0.35) L3MBTL1ALDH1A1LMNAMAPTALOX12

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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed