SCHEMBL2009971

SCHEMBL2009971

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
FAAH O00519 2/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
PMP22 Q01453 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 2/20 0.31
SLC26A4 O43511 1/20 0.30
POLB P06746 1/20 0.30
GALR3 O60755 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
SCHEMBL2001356 0.95 FAAH (0.37) L3MBTL1FAAHLMNAALDH1A1MAPT
SCHEMBL2004304 0.91 FAAH (0.35) L3MBTL1FAAHLMNAALDH1A1MAPT
SCHEMBL2003432 0.90 LMNA (0.41) FAAHLMNAALDH1A1MAPTALOX12
SCHEMBL2004890 0.90 FAAH (0.39) FAAHLMNAALDH1A1MAPTALOX12
SCHEMBL2000665 0.90 L3MBTL1 (0.35) L3MBTL1FAAHLMNAALDH1A1MAPT
SCHEMBL2001323 0.89 L3MBTL1 (0.41) L3MBTL1FAAHLMNAALDH1A1MAPT
SCHEMBL2003317 0.89 L3MBTL1 (0.38) L3MBTL1FAAHLMNAALDH1A1MAPT
SCHEMBL2002262 0.89 PLA2G2A (0.37) FAAHLMNAALDH1A1MAPTMAPK1
SCHEMBL2005952 0.88 SLC26A4 (0.37) FAAHLMNAMAPTCYP3A4CYP2C9
SCHEMBL2006179 0.87 L3MBTL1 (0.37) L3MBTL1LMNAALDH1A1MAPTALOX12

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