SCHEMBL14224040

SCHEMBL14224040

COc1ccc(Cn2c(=O)c(C)c(O)c3cccnc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
THRB P10828 1/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.60
RXFP1 Q9HBX9 2/20 0.55
TP53 P04637 1/20 0.52
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR2 P34972 2/20 0.48
P2RX4 Q99571 1/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL13462278 0.87 PTGDR2 (0.57) MAPTTHRBPTGDR2RXFP1KMT2A
SCHEMBL5769289 0.85 PTGDR2 (0.60) MAPTTHRBPTGDR2RXFP1TP53
SCHEMBL4849772 0.84 PTGDR2 (0.58) MAPTTHRBPTGDR2RXFP1TP53
SCHEMBL5871817 0.80 MAPT (0.61) MAPTTHRBPTGDR2RXFP1TP53
SCHEMBL4852699 0.78 PTGDR2 (0.58) MAPTTHRBPTGDR2RXFP1TP53
SCHEMBL4851291 0.77 MAPT (0.58) MAPTTHRBPTGDR2RXFP1TP53
SCHEMBL4848876 0.77 CNR2 (0.80) RXFP1ALDH1A1LMNACNR2
SCHEMBL7651126 0.77 MAPT (0.72) MAPTTHRBPTGDR2RXFP1TP53
SCHEMBL1523317 0.76 MAPT (0.59) MAPTTHRBPTGDR2RXFP1TP53
SCHEMBL6531213 0.76 MAPT (0.49) MAPTTHRBPTGDR2RXFP1TP53

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-7361760-B2 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2008-04-22 US disclosed