SCHEMBL14000172

SCHEMBL14000172

Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 6/20 0.36
▸ SLC6A9 P48067 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 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
SCHEMBL14000182 0.91 KMT2A (0.37) GAAKMT2AMEN1LMNACHRM1
SCHEMBL17923456 0.90 KMT2A (0.37) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL14000181 0.90 CNR1 (0.37) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL14000185 0.90 TSHR (0.39) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL14000186 0.89 GAA (0.36) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL2236768 0.89 GAA (0.36) GAAKMT2AMEN1LMNACHRM1
SCHEMBL14000184 0.89 LMNA (0.36) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL14000173 0.89 GAA (0.35) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL14000183 0.89 LMNA (0.35) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL14000167 0.88 RORC (0.36) GAAKMT2AMEN1LMNAALDH1A1

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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