SCHEMBL2005259

SCHEMBL2005259

O=C(c1nnc(-c2ccccn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 1/20 0.37
OPRK1 P41145 3/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
FAAH O00519 5/20 0.35
CES1 P23141 5/20 0.35
NCEH1 Q6PIU2 1/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL2003934 0.95 KDM4E (0.39) ALDH1A1LMNAMAPTALOX12KDM4E
SCHEMBL2002649 0.92 LMNA (0.43) ALDH1A1LMNAMAPTALOX12KDM4E
SCHEMBL2004162 0.91 OPRK1 (0.38) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL2004677 0.90 MAPT (0.41) L3MBTL1ALDH1A1LMNAMAPTKDM4E
SCHEMBL2008404 0.90 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL1999938 0.90 PLA2G2A (0.39) LMNAMAPTKDM4EFAAH
SCHEMBL2006179 0.89 L3MBTL1 (0.37) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL2011749 0.88 LMNA (0.38) ALDH1A1LMNAMAPTALOX12KDM4E
SCHEMBL2005971 0.88 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNAMAPTALOX12
SCHEMBL2001323 0.87 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAMAPTALOX12

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