SCHEMBL14000182

SCHEMBL14000182

Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCC(O)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HTT P42858 3/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL14000185 0.92 TSHR (0.39) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL14000186 0.91 GAA (0.36) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL14000172 0.91 GAA (0.37) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL14000184 0.90 LMNA (0.36) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL17923456 0.90 KMT2A (0.37) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL14000181 0.90 CNR1 (0.37) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL14000167 0.90 RORC (0.36) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL2236768 0.89 GAA (0.36) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL14000173 0.89 GAA (0.35) KMT2ALMNAMEN1GAAL3MBTL1
SCHEMBL14000183 0.89 LMNA (0.35) KMT2ALMNAMEN1GAAL3MBTL1

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
US-7465748-B2 Antiherpesvirus drugs; great pharmacokinetics, good antivirus activity when administered orally at a low dose, high safety profile, less mutagenic concerns; N-(2,6-dimethylphenyl)-N-(2-{[4-(1,3-oxazol-4-yl)phenyl]amino)-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide ASTELLAS PHARMA INC. (JP) 2008-12-16 — — US disclosed
US-7465748-B2 Antiherpesvirus drugs; great pharmacokinetics, good antivirus activity when administered orally at a low dose, high safety profile, less mutagenic concerns; N-(2,6-dimethylphenyl)-N-(2-{[4-(1,3-oxazol-4-yl)phenyl]amino)-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide ASTELLAS PHARMA INC. (JP) 2008-12-16 — — US disclosed
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