SCHEMBL2010346

SCHEMBL2010346

COc1ccc2c(c1)c(C(=O)c1ncc(-c3ccncn3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.37
PTGS2 P35354 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
F2RL3 Q96RI0 4/20 0.33
TP53 P04637 2/20 0.33
SLC26A4 O43511 1/20 0.33
POLB P06746 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
RGS12 O14924 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL2002426 0.94 SLC26A4 (0.34) PLA2G2AF2RL3SLC26A4POLBCYP3A4
SCHEMBL2006267 0.93 FAAH (0.35) CYP1A2CYP3A4CYP2C9CYP2D6MAPT
SCHEMBL2008885 0.91 LMNA (0.41) PLA2G2APTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL2000385 0.91 FAAH (0.38) PLA2G2AF2RL3FAAH
SCHEMBL2004961 0.91 FAAH (0.33) PTGDR2TP53MAPTALDH1A1LMNA
SCHEMBL2008690 0.91 PLA2G2A (0.38) PLA2G2APTGS2PTGDR2F2RL3TP53
SCHEMBL2002262 0.91 PLA2G2A (0.37) PLA2G2APTGDR2TP53SLC26A4POLB
SCHEMBL2000665 0.90 L3MBTL1 (0.35) MAPTALDH1A1LMNAFAAHSCD
SCHEMBL2005776 0.89 PLA2G2A (0.37) PLA2G2APTGS2PTGDR2F2RL3SLC26A4
SCHEMBL2003449 0.88 LMNA (0.38) TP53CYP1A2CYP3A4CYP2C9CYP2D6

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