SCHEMBL2012543

SCHEMBL2012543

O=C(c1nnc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.39
FAAH O00519 1/20 0.35
MAPT P10636 5/20 0.35
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.34
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2007820 0.94 LMNA (0.37) LMNAMAPK1FAAHMAPTALOX15
SCHEMBL2002818 0.93 FAAH (0.44) LMNAMAPK1FAAHMAPTALOX15
SCHEMBL2002958 0.92 MEN1 (0.44) LMNAMAPK1FAAHMAPTMEN1
SCHEMBL2002258 0.91 LMNA (0.39) LMNAMAPK1MAPTMEN1CYP3A4
SCHEMBL2003216 0.90 LMNA (0.35) LMNAMAPK1MAPTALOX12CYP3A4
SCHEMBL2008598 0.90 ALOX5AP (0.40) LMNAMAPK1FAAHMAPTMEN1
SCHEMBL2001856 0.89 LMNA (0.36) LMNAMAPK1FAAHMAPTALOX15
SCHEMBL2009777 0.88 FAAH (0.41) LMNAFAAHMAPTALOX15ALOX12
SCHEMBL2004901 0.87 MAPT (0.36) FAAHMAPTALOX15ALOX12HSD17B10
SCHEMBL2002340 0.87 MAPK1 (0.55) LMNAMAPK1FAAHMAPTALOX15

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