SCHEMBL2009477

SCHEMBL2009477

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccncc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PKM P14618 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
USP2 O75604 2/20 0.33
NPC1 O15118 2/20 0.33
CASP1 P29466 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE11A Q9HCR9 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
SCHEMBL2002838 0.94 LMNA (0.45) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2002347 0.93 PPARG (0.37) LMNAMAPK1TSHRMAPTSMN1; SMN2
SCHEMBL2002445 0.91 LMNA (0.43) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2005825 0.91 RET (0.38) LMNAMAPK1TSHRPKMMAPT
SCHEMBL2007059 0.91 MAPK1 (0.41) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2006683 0.90 MAPK1 (0.47) LMNAMAPK1KMT2ATSHRPKM
SCHEMBL2003530 0.90 MAPK1 (0.45) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2004245 0.90 LMNA (0.45) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL1999740 0.90 LMNA (0.45) LMNAMAPK1KMT2ATSHRGSK3A
SCHEMBL2004842 0.89 FAAH (0.33) LMNAMAPK1MAPTSMN1; SMN2NPC1

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