SCHEMBL2011749

SCHEMBL2011749

CCOc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EDNRB P24530 3/20 0.36
MAPT P10636 2/20 0.36
ALOX5AP P20292 2/20 0.35
SLC26A4 O43511 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
FAAH O00519 4/20 0.35
CES1 P23141 1/20 0.35
OPRK1 P41145 1/20 0.34
F2RL3 Q96RI0 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL1999938 0.94 PLA2G2A (0.39) LMNASMN1; SMN2MAPTKDM4EFAAH
SCHEMBL2003934 0.91 KDM4E (0.39) LMNAMAPTKDM4EFAAHCES1
SCHEMBL2008229 0.91 ALOX5AP (0.40) LMNASMN1; SMN2MAPTALOX5APALDH1A1
SCHEMBL2004340 0.91 F2RL3 (0.37) LMNASMN1; SMN2EDNRBMAPTALOX5AP
SCHEMBL2003876 0.90 SLC26A4 (0.35) LMNASMN1; SMN2EDNRBMAPTALOX5AP
SCHEMBL2003138 0.90 EDNRB (0.41) LMNASMN1; SMN2EDNRBMAPTALOX5AP
SCHEMBL2004162 0.89 OPRK1 (0.38) LMNASMN1; SMN2MAPTKDM4EFAAH
SCHEMBL2005259 0.88 L3MBTL1 (0.41) LMNAMAPTKDM4EFAAHCES1
SCHEMBL2002649 0.88 LMNA (0.43) LMNASMN1; SMN2MAPTKDM4EFAAH
SCHEMBL2007246 0.88 LMNA (0.38) LMNASMN1; SMN2EDNRBMAPTALOX5AP

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