SCHEMBL4373645

SCHEMBL4373645

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl.Cc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl.O=C(c1ncc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12.O=C(c1ncc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12.O=C(c1ncc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.O=C(c1nnc(-c2ccccc2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL15062505 0.90 FAAH (0.32) L3MBTL1LMNASMN1; SMN2ALOX5AP
SCHEMBL4544148 0.88 FAAH (0.36) SLC26A4POLBL3MBTL1LMNASMN1; SMN2
SCHEMBL2005952 0.84 SLC26A4 (0.37) SLC26A4POLBLMNASMN1; SMN2ALOX5AP
SCHEMBL2992472 0.82 ALOX5AP (0.32) ALOX5AP
SCHEMBL2003876 0.82 SLC26A4 (0.35) SLC26A4POLBLMNASMN1; SMN2ALOX5AP
SCHEMBL2004304 0.82 FAAH (0.35) SLC26A4POLBL3MBTL1LMNASMN1; SMN2
SCHEMBL2003138 0.82 EDNRB (0.41) SLC26A4POLBLMNASMN1; SMN2ALOX5AP
SCHEMBL2009971 0.81 L3MBTL1 (0.37) SLC26A4POLBL3MBTL1LMNA
SCHEMBL2002262 0.80 PLA2G2A (0.37) SLC26A4POLBLMNA
SCHEMBL2005116 0.80 LMNA (0.42) SLC26A4POLBLMNASMN1; SMN2ALOX5AP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed