SCHEMBL5744587

SCHEMBL5744587

CC(C)(C)OC(=O)N[C@@H]1C2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CTPS1 P17812 1/20 0.39
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5742737 1.00 MAPT (0.51) MAPTALDH1A1RAB9AMAPK1LMNA
SCHEMBL4443707 0.85 MAPT (0.53) MAPTALDH1A1RAB9AMAPK1POLB
SCHEMBL6711478 0.84 KMT2A (0.43) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6477993 0.83 MAPT (0.48) MAPTALDH1A1RAB9AMAPK1LMNA
SCHEMBL5466436 0.83 MAPT (0.48) MAPTALDH1A1RAB9AMAPK1LMNA
SCHEMBL28913476 0.83 MAPT (0.49) MAPTALDH1A1LMNAPOLB
SCHEMBL28913479 0.83 MAPT (0.49) MAPTALDH1A1LMNAPOLB
SCHEMBL6711556 0.78 MAPT (0.52) MAPTALDH1A1RAB9AMAPK1LMNA
SCHEMBL6709229 0.78 MAPT (0.52) MAPTALDH1A1RAB9AMAPK1LMNA
SCHEMBL21308804 0.77 MAPT (0.43) MAPTALDH1A1RAB9APOLBKMT2A

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 4 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
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 WO disclosed