SCHEMBL5742748

SCHEMBL5742748

CC(C)(C)OC(=O)N[C@H]1C2CN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4D Q6B0I6 3/20 0.34
GAA P10253 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL6478544 1.00 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9ADRD2
SCHEMBL5462316 1.00 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9ADRD2
SCHEMBL5466436 0.86 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9ADRD2
SCHEMBL6477993 0.86 MAPT (0.48) MAPTSMN1; SMN2NPC1RAB9ADRD2
SCHEMBL6478181 0.85 MAPT (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6335663 0.80 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9ADRD2
SCHEMBL31639877 0.78 ALDH1A1 (0.44) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL5742737 0.77 MAPT (0.51) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL5744587 0.77 MAPT (0.51) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL4780908 0.76 NFKB1 (0.39) NFKB1NFKB2RELAKDM4DGAA

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
EP-1646630-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
WO-2005005422-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed