SCHEMBL2003741

SCHEMBL2003741

O=C(c1cnc(-c2ccccc2)o1)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
PPARG P37231 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
PTGES2 Q9H7Z7 7/20 0.40
PTGES O14684 2/20 0.40
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
ALOX5AP P20292 1/20 0.38
TBXAS1 P24557 1/20 0.38
EIF4A3 P38919 2/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2005862 0.94 MAPT (0.41) MAPTPPARGMEN1KMT2APTGES2
SCHEMBL2001619 0.93 PTGES2 (0.41) MEN1KMT2ACYP3A4PTGES2PTGES
SCHEMBL2010143 0.93 PTGES2 (0.42) PPARGMEN1KMT2AHSD17B10PTGES2
SCHEMBL2009968 0.92 MAPT (0.39) MAPTPPARGMEN1KMT2ACYP3A4
SCHEMBL2003925 0.92 ALOX5 (0.39) MAPTPPARGMEN1KMT2ACYP3A4
SCHEMBL2005003 0.91 PTGES2 (0.43) MAPTPPARGMEN1KMT2ACYP3A4
SCHEMBL2003930 0.91 PLA2G2A (0.46) MAPTMEN1KMT2ACYP3A4TSHR
SCHEMBL2007615 0.90 ALOX5AP (0.44) CYP3A4ALOX5AP
SCHEMBL2009144 0.88 CYP3A4 (0.38) MAPTPPARGMEN1KMT2ACYP3A4
SCHEMBL1996469 0.88 LMNA (0.42) MAPTPPARGMEN1KMT2ACYP3A4

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