SCHEMBL14536680

SCHEMBL14536680

COc1c(C(N)=O)ncc(C(=O)NCc2ccc(F)cc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RORC P51449 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL2186229 0.85 MAPT (0.50) MAPTTHRBLIPGKMT2AGAA
SCHEMBL13805554 0.84 CNR2 (0.52) MAPTTHRBKMT2AGAAHPGD
SCHEMBL13793202 0.83 LMNA (0.57) MAPTTHRBKMT2ARXFP1ALDH1A1
SCHEMBL92997 0.79 CNR2 (0.51) MAPTTHRBLIPGKMT2AGAA
SCHEMBL83038 0.78 LMNA (0.58) MAPTTHRBLIPGKMT2ARXFP1
SCHEMBL92988 0.78 KMT2A (0.52) MAPTLIPGKMT2AGAARXFP1
SCHEMBL1503237 0.76 KMT2A (0.45) MAPTTHRBLIPGKMT2AGAA
SCHEMBL12516721 0.76 MAPT (0.46) MAPTTHRBKMT2AGAARXFP1
SCHEMBL80877 0.76 LMNA (0.61) MAPTKMT2AGAARXFP1KDM4E
SCHEMBL92995 0.75 CNR2 (0.52) MAPTTHRBLIPGGAARXFP1

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
EP-1790638-A1 CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2007-05-30 EP disclosed