SCHEMBL2004901

SCHEMBL2004901

O=C(c1cnc(-c2ccncn2)o1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX5AP P20292 3/20 0.36
ALOX5 P09917 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PTGES2 Q9H7Z7 2/20 0.35
FAAH O00519 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL2006664 0.94 ALOX5AP (0.36) MAPTALOX15ALOX12HSD17B10ALDH1A1
SCHEMBL2009855 0.93 FAAH (0.43) MAPTALOX15ALOX12HSD17B10ALDH1A1
SCHEMBL2006959 0.92 MAPT (0.36) MAPTALOX12ALDH1A1NPSR1ALOX5AP
SCHEMBL2004673 0.91 ALDH1A1 (0.39) MAPTALOX15ALOX12HSD17B10ALDH1A1
SCHEMBL2001464 0.90 MEN1 (0.44) MAPTALDH1A1ALOX5APALOX5MEN1
SCHEMBL2005411 0.90 ALOX5AP (0.42) MAPTALDH1A1ALOX5APALOX5MEN1
SCHEMBL2006787 0.88 PTGES2 (0.36) MAPTALOX15ALOX12HSD17B10ALDH1A1
SCHEMBL2007882 0.88 HSD17B10 (0.40) MAPTALOX15ALOX12HSD17B10ALDH1A1
SCHEMBL2006285 0.87 HSD17B10 (0.39) MAPTALOX15ALOX12HSD17B10ALDH1A1
SCHEMBL2005712 0.87 L3MBTL1 (0.37) MAPTALOX15ALOX12HSD17B10ALDH1A1

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