SCHEMBL2005115

SCHEMBL2005115

CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.37
ALOX5 P09917 3/20 0.37
POLB P06746 2/20 0.35
SLC26A4 O43511 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 1/20 0.33
CHRNA7 P36544 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 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
SCHEMBL2008751 0.93 MAPT (0.38) ALOX5APALOX5LMNAMAPTALDH1A1
SCHEMBL2005411 0.92 ALOX5AP (0.42) ALOX5APALOX5SLC26A4LMNAMAPT
SCHEMBL2006959 0.91 MAPT (0.36) ALOX5APALOX5LMNAMAPTSMN1; SMN2
SCHEMBL2006472 0.91 ALOX5AP (0.36) ALOX5APALOX5POLBSLC26A4LMNA
SCHEMBL2007246 0.90 LMNA (0.38) ALOX5APALOX5POLBSLC26A4LMNA
SCHEMBL2007346 0.90 ALOX5AP (0.39) ALOX5APALOX5POLBSLC26A4LMNA
SCHEMBL2007905 0.89 FAAH (0.37) LMNAMAPTSMN1; SMN2ALDH1A1ALOX12
SCHEMBL2005712 0.88 L3MBTL1 (0.37) ALOX5APALOX5LMNAMAPTSMN1; SMN2
SCHEMBL2003876 0.88 SLC26A4 (0.35) ALOX5APALOX5POLBSLC26A4LMNA
SCHEMBL2010615 0.88 LMNA (0.41) ALOX5APPOLBLMNAMAPTSMN1; SMN2

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