SCHEMBL2006372

SCHEMBL2006372

Cc1ccc2c(c1)c(C(=O)c1cnc(-c3cccnc3)o1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.39
RET P07949 2/20 0.37
TBXAS1 P24557 1/20 0.35
ALOX5AP P20292 2/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
ALOX12 P18054 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 1/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 3/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL2001072 0.95 PTGES2 (0.38) PTGES2RETTBXAS1ALOX5APMAPT
SCHEMBL2002629 0.93 PPARG (0.39) PTGES2TBXAS1ALOX5APMAPTALDH1A1
SCHEMBL2007848 0.92 PTGES2 (0.45) PTGES2RETTBXAS1ALOX5APMAPT
SCHEMBL2002516 0.92 L3MBTL1 (0.36) PTGES2RETTBXAS1ALOX5APMAPT
SCHEMBL2008195 0.92 FAAH (0.36) PTGES2ALOX5APMAPTALDH1A1ALOX12
SCHEMBL1999846 0.92 LMNA (0.39) PTGES2RETMAPTALDH1A1ALOX12
SCHEMBL2010168 0.91 ALOX5AP (0.38) PTGES2RETALOX5APMAPTALDH1A1
SCHEMBL1996791 0.90 PTGES2 (0.38) PTGES2TBXAS1ALOX5APMAPTALDH1A1
SCHEMBL2008130 0.90 ALOX5AP (0.39) PTGES2RETALOX5APMAPTALDH1A1
SCHEMBL2005825 0.88 RET (0.38) PTGES2RETTBXAS1MAPTALDH1A1

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