SCHEMBL2005091

SCHEMBL2005091

CCOc1ccc2c(c1)c(C(=O)c1noc(-c3ccncn3)n1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 13/20 0.39
ALOX5 P09917 3/20 0.39
STAT3 P40763 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
P2RX3 P56373 1/20 0.34
CNR2 P34972 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
SCHEMBL2007314 0.93 LMNA (0.40) ALOX5APALOX5STAT3PTGS1PTGS2
SCHEMBL2004879 0.92 ALOX5AP (0.33) ALOX5APALOX5STAT3
SCHEMBL2004742 0.91 STAT3 (0.35) ALOX5APALOX5STAT3
SCHEMBL2007194 0.90 ALOX5AP (0.42) ALOX5APALOX5STAT3PTGS1PTGS2
SCHEMBL2011061 0.90 ALOX5AP (0.39) ALOX5APALOX5PTGS1PTGS2P2RX3
SCHEMBL1999358 0.90 FAAH (0.41) ALOX5APALOX5STAT3
SCHEMBL2007961 0.89 STAT3 (0.34) ALOX5APALOX5STAT3
SCHEMBL2005424 0.87 ALOX5AP (0.42) ALOX5APALOX5
SCHEMBL2001764 0.87 ALOX5AP (0.39) ALOX5APALOX5PTGS1PTGS2CNR2
SCHEMBL2008218 0.87 ALOX5AP (0.41) ALOX5APALOX5PTGS1PTGS2

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