SCHEMBL2005303

SCHEMBL2005303

CCOc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncc3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
F10 P00742 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5AP P20292 3/20 0.35
ALOX5 P09917 1/20 0.35
EDNRB P24530 2/20 0.34
CHRNA7 P36544 2/20 0.34
F2RL3 Q96RI0 2/20 0.34
FAAH O00519 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2J2 P51589 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
SCHEMBL2004240 0.93 PLA2G2A (0.39) SLC26A4POLBLMNAMAPTF10
SCHEMBL2003998 0.93 SLC26A4 (0.40) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2003027 0.92 POLB (0.37) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2006262 0.91 CYP2C9 (0.40) LMNAMAPTF10CYP2C9CYP3A4
SCHEMBL2006132 0.90 ALOX5AP (0.43) SLC26A4LMNASMN1; SMN2MAPTCYP2C9
SCHEMBL1999823 0.90 F2RL3 (0.36) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2005952 0.90 SLC26A4 (0.37) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2006660 0.89 CYP2C9 (0.37) SLC26A4POLBLMNASMN1; SMN2MAPT
SCHEMBL2003317 0.88 L3MBTL1 (0.38) LMNAMAPTCYP2C9CYP3A4FAAH
SCHEMBL1999529 0.88 FAAH (0.40) LMNASMN1; SMN2FAAH

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