SCHEMBL2009198

SCHEMBL2009198

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.39
ALOX5 P09917 4/20 0.39
FAAH O00519 1/20 0.34
KMT2A Q03164 2/20 0.34
SLC26A4 O43511 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.33
RGS12 O14924 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 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
SCHEMBL2008885 0.93 LMNA (0.41) ALOX5APALOX5FAAHKMT2ALMNA
SCHEMBL2002426 0.92 SLC26A4 (0.34) ALOX5APALOX5FAAHSLC26A4LMNA
SCHEMBL2007801 0.91 FAAH (0.38) ALOX5APALOX5FAAHKMT2AMAPT
SCHEMBL2008081 0.90 FAAH (0.41) ALOX5APALOX5FAAHCYP3A4CYP2C9
SCHEMBL2001878 0.90 ALOX5AP (0.42) ALOX5APALOX5KMT2ASLC26A4LMNA
SCHEMBL2006366 0.90 ALOX5AP (0.40) ALOX5APALOX5FAAHKMT2ASLC26A4
SCHEMBL2006590 0.89 FAAH (0.40) ALOX5APALOX5FAAHKMT2AMAPT
SCHEMBL2012375 0.89 FAAH (0.37) ALOX5APALOX5FAAHKMT2ALMNA
SCHEMBL2003878 0.88 ALOX5AP (0.39) ALOX5APALOX5KMT2ALMNAMAPT
SCHEMBL2005424 0.88 ALOX5AP (0.42) ALOX5APALOX5CYP3A4CYP2C9

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