SCHEMBL2006132

SCHEMBL2006132

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)o1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.43
ALOX5 P09917 3/20 0.43
KMT2A Q03164 3/20 0.38
SLC26A4 O43511 1/20 0.38
CHRNA7 P36544 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
RGS12 O14924 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
GNAI1 P63096 1/20 0.37

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
SCHEMBL2008374 0.92 ALOX5AP (0.44) ALOX5APALOX5KMT2ASLC26A4ALDH1A1
SCHEMBL2005733 0.92 MEN1 (0.45) ALOX5APALOX5KMT2ALMNAMAPT
SCHEMBL2005691 0.91 ALOX5AP (0.43) ALOX5APALOX5KMT2ALMNAMAPT
SCHEMBL2005303 0.90 SLC26A4 (0.38) ALOX5APALOX5SLC26A4CHRNA7LMNA
SCHEMBL2001878 0.90 ALOX5AP (0.42) ALOX5APALOX5KMT2ASLC26A4CHRNA7
SCHEMBL2010345 0.90 MEN1 (0.38) ALOX5APALOX5KMT2ALMNAMAPT
SCHEMBL2006366 0.90 ALOX5AP (0.40) ALOX5APALOX5KMT2ASLC26A4CHRNA7
SCHEMBL2001753 0.88 FAAH (0.44) ALOX5APALOX5KMT2AMAPTMEN1
SCHEMBL1999528 0.87 ALOX5 (0.37) ALOX5APALOX5KMT2ALMNAMAPT
SCHEMBL2000884 0.87 FAAH (0.44)

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