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SCHEMBL2007194

SCHEMBL2007194

CCOc1ccc2c(c1)c(C(=O)c1noc(-c3ccncc3)n1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 9/20 0.42
▸ ALOX5 P09917 3/20 0.42
▸ S1PR1 P21453 3/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CASR P41180 1/20 0.35
▸ STAT3 P40763 1/20 0.35

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
SCHEMBL2008218 0.93 ALOX5AP (0.41) ALOX5APALOX5S1PR1S1PR5PTGS1
SCHEMBL2000833 0.92 KMT2A (0.42) ALOX5APALOX5PTGS1PTGS2
SCHEMBL2003150 0.92 S1PR1 (0.35) ALOX5APALOX5S1PR1S1PR5
SCHEMBL2004598 0.91 ALOX5AP (0.41) ALOX5APALOX5S1PR1PTGS1PTGS2
SCHEMBL2005091 0.90 ALOX5AP (0.39) ALOX5APALOX5CNR2PTGS1PTGS2
SCHEMBL2003734 0.90 ALOX5AP (0.42) ALOX5APALOX5S1PR1S1PR5CNR2
SCHEMBL2002572 0.90 HSD17B10 (0.36) ALOX5APALOX5S1PR1STAT3
SCHEMBL2006095 0.88 FAAH (0.39) ALOX5APALOX5
SCHEMBL2002922 0.87 MAPT (0.35) ALOX5APALOX5STAT3
SCHEMBL1997676 0.87 ALOX5AP (0.45) ALOX5APALOX5

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