SCHEMBL14000176

SCHEMBL14000176

Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)N2CCSCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 5/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPK1 P28482 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
SCHEMBL14000177 0.89 WNT3A (0.36) MLYCDPIK3CAMTORPIK3CGLMNA
SCHEMBL17923456 0.84 KMT2A (0.37) LMNAKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14000175 0.84 MTOR (0.39) MLYCDPIK3CAMTORPIK3CGLMNA
SCHEMBL14000172 0.79 GAA (0.37) PIK3CAMTORPIK3CGLMNAKMT2A
SCHEMBL14000180 0.78 NAMPT (0.42) MLYCDLMNAKMT2ATSHRSMN1; SMN2
SCHEMBL14000182 0.78 KMT2A (0.37) LMNAKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL14000183 0.77 LMNA (0.35) LMNAKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL14000185 0.77 TSHR (0.39) LMNAKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL14000181 0.77 CNR1 (0.37) LMNAKMT2ATSHRALDH1A1MAPT
SCHEMBL14000186 0.76 GAA (0.36) LMNAKMT2ATSHRALDH1A1MAPT

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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