SCHEMBL2003998

SCHEMBL2003998

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccccc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EDNRB P24530 4/20 0.39
ALOX5AP P20292 3/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.38
F2RL3 Q96RI0 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NTRK1 P04629 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2005303 0.93 SLC26A4 (0.38) SLC26A4POLBLMNASMN1; SMN2EDNRB
SCHEMBL2006669 0.93 PLA2G2A (0.41) SLC26A4POLBLMNAALOX5APALDH1A1
SCHEMBL2003027 0.92 POLB (0.37) SLC26A4POLBLMNASMN1; SMN2EDNRB
SCHEMBL2002487 0.91 LMNA (0.40) LMNASMN1; SMN2ALOX5APALDH1A1KDM4E
SCHEMBL2008374 0.90 ALOX5AP (0.44) SLC26A4ALOX5APALDH1A1KDM4EHPGD
SCHEMBL2006766 0.90 F2RL3 (0.40) SLC26A4POLBLMNASMN1; SMN2EDNRB
SCHEMBL1999529 0.90 FAAH (0.40) LMNASMN1; SMN2
SCHEMBL2005357 0.89 LMNA (0.38) SLC26A4POLBLMNASMN1; SMN2ALOX5AP
SCHEMBL2007718 0.88 L3MBTL1 (0.43) LMNASMN1; SMN2ALOX5APALDH1A1KDM4E
SCHEMBL2003138 0.87 EDNRB (0.41) SLC26A4POLBLMNASMN1; SMN2EDNRB

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