SCHEMBL1997676

SCHEMBL1997676

CCOc1ccc2c(c1)c(C(=O)c1cnc(-c3ccncc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.45
ALOX5 P09917 5/20 0.45
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
SCHEMBL2001177 0.93 ALOX5AP (0.43) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2007615 0.93 ALOX5AP (0.44) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2006586 0.93 ALOX5AP (0.39) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2006720 0.92 ALOX5AP (0.44) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2003925 0.90 ALOX5 (0.39) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2005424 0.90 ALOX5AP (0.42) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2003159 0.89 ALOX5AP (0.46) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2007666 0.89 MAPK1 (0.43) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2010313 0.89 FAAH (0.42) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL2002225 0.88 ALOX5AP (0.39) 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