SCHEMBL2011368

SCHEMBL2011368

Cc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 10/20 0.41
PTGES O14684 4/20 0.41
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TBXAS1 P24557 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL2002364 0.93 MAPT (0.41) PTGES2PTGESMEN1KMT2ATBXAS1
SCHEMBL2006683 0.92 MAPK1 (0.47) PTGES2FAAHMEN1HTTKMT2A
SCHEMBL2008741 0.91 PTGES2 (0.44) PTGES2PTGESFAAHMEN1HTT
SCHEMBL2006137 0.91 MAPT (0.42) PTGES2PTGESMEN1KMT2ATBXAS1
SCHEMBL2002347 0.90 PPARG (0.37) KDM4EMITFALDH1A1LMNAMAPT
SCHEMBL2002253 0.90 PLA2G2A (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2006816 0.89 LMNA (0.42) PTGES2PTGESMEN1KMT2AKDM4E
SCHEMBL2005819 0.89 MEN1 (0.43) PTGES2PTGESFAAHMEN1HTT
SCHEMBL2002059 0.89 FAAH (0.49) PTGES2PTGESFAAHMEN1HTT
SCHEMBL2002574 0.89 FAAH (0.42) PTGES2PTGESFAAHMEN1HTT

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