SCHEMBL2006267

SCHEMBL2006267

O=C(c1ncc(-c2ccncn2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
EPHX2 P34913 2/20 0.32
RORC P51449 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
PMP22 Q01453 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
P2RX7 Q99572 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
SCHEMBL2000665 0.95 L3MBTL1 (0.35) FAAHSCDSCD5LMNAALDH1A1
SCHEMBL2004961 0.95 FAAH (0.33) FAAHSCDSCD5LMNAALDH1A1
SCHEMBL2003449 0.94 LMNA (0.38) FAAHSCDSCD5LMNAALDH1A1
SCHEMBL2010346 0.93 PLA2G2A (0.37) FAAHSCDSCD5LMNAALDH1A1
SCHEMBL2002426 0.92 SLC26A4 (0.34) FAAHSCDSCD5LMNAMAPT
SCHEMBL2007801 0.91 FAAH (0.38) FAAHSCDSCD5ALDH1A1MAPT
SCHEMBL2002866 0.90 FAAH (0.41) FAAH
SCHEMBL2006841 0.90 CYP3A4 (0.37) FAAHLMNAALDH1A1MAPTALOX12
SCHEMBL2001356 0.89 FAAH (0.37) FAAHLMNAALDH1A1MAPTALOX12
SCHEMBL2003824 0.87 LMNA (0.33) LMNAALDH1A1MAPTALOX12EPHX2

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