SCHEMBL2006179

SCHEMBL2006179

O=C(c1nnc(-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
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 3/20 0.33
P2RX7 Q99572 1/20 0.32
TSHR P16473 2/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
KMT2A Q03164 1/20 0.31
CASP1 P29466 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
NLRP3 Q96P20 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2003216 0.95 LMNA (0.35) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2002612 0.91 FAAH (0.35) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2001923 0.90 LMNA (0.41) LMNAALDH1A1MAPTALOX12MAPK1
SCHEMBL2007820 0.90 LMNA (0.37) L3MBTL1LMNAALDH1A1MAPTMAPK1
SCHEMBL2002081 0.90 L3MBTL1 (0.35) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2005382 0.90 PLA2G2A (0.38) LMNAALDH1A1MAPTMAPK1TSHR
SCHEMBL2005259 0.89 L3MBTL1 (0.41) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2003876 0.88 SLC26A4 (0.35) LMNAMAPTCYP3A4CYP2C9
SCHEMBL2000320 0.88 LMNA (0.46) L3MBTL1LMNAALDH1A1MAPTALOX12
SCHEMBL2009971 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