SCHEMBL1737993

SCHEMBL1737993

COc1cccc(Cn2c(C)c(C)c3cc(OC(=O)O)nc(N4CCc5ccccc5C4)c32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
FABP4 P15090 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 3/20 0.39
HTR6 P50406 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 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
SCHEMBL1738134 0.92 FABP4 (0.41) MAPTFABP4KDM4EALDH1A1NPSR1
SCHEMBL1738167 0.91 PRMT5 (0.41) MAPTFABP4L3MBTL1PRMT5WDR77
SCHEMBL1738206 0.90 TP53 (0.42) MAPTFABP4L3MBTL1MAOBHTR6
SCHEMBL1738332 0.90 ENPP2 (0.38) FABP4L3MBTL1PTGER4PTGER2NPC1
SCHEMBL1737992 0.89 FABP4 (0.43) MAPTFABP4L3MBTL1MAOBHTR6
SCHEMBL1737799 0.86 MAPT (0.40) MAPTFABP4L3MBTL1MAOBHTR6
SCHEMBL1735927 0.86 USP2 (0.40) FABP4L3MBTL1PRMT5WDR77NPC1
SCHEMBL1739560 0.86 FABP4 (0.39) MAPTFABP4L3MBTL1KDM4EALDH1A1
SCHEMBL1736732 0.85 SIGMAR1 (0.40) MAPTMAOBHTR6PRMT5WDR77
SCHEMBL1737791 0.85 GRIN2D (0.41) MAPTMAOBHTR6PRMT5WDR77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed