SCHEMBL2004257

SCHEMBL2004257

O=C(c1ncc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.43
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL2001323 0.95 L3MBTL1 (0.41) FAAHALDH1A1LMNAMAPTALOX12
SCHEMBL2005782 0.95 FAAH (0.43) FAAHTSHRALDH1A1LMNAMAPT
SCHEMBL2001270 0.94 FAAH (0.41) FAAH
SCHEMBL2003840 0.92 FAAH (0.40) FAAH
SCHEMBL1999529 0.91 FAAH (0.40) FAAHLMNA
SCHEMBL2003243 0.90 FAAH (0.47) FAAH
SCHEMBL2002866 0.89 FAAH (0.41) FAAH
SCHEMBL2001356 0.89 FAAH (0.37) FAAHTSHRALDH1A1LMNAMAPT
SCHEMBL2002487 0.88 LMNA (0.40) FAAHTSHRALDH1A1LMNAMAPT
SCHEMBL2003934 0.86 KDM4E (0.39) FAAHTSHRALDH1A1LMNAMAPT

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