SCHEMBL5763191

SCHEMBL5763191

N#C[C@@]1(c2ccc([N+](=O)[O-])cc2)C2CN(C(=O)C(F)(F)F)C[C@@H]21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
CTSS P25774 1/20 0.36
HSD11B1 P28845 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KCNJ1 P48048 1/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KMT2A Q03164 2/20 0.34
ZNF207 O43670 1/20 0.34
MEN1 O00255 1/20 0.34
ENPP2 Q13822 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL5763317 1.00 PGR (0.36) PGRCTSSHSD11B1HTTLMNA
SCHEMBL5763319 1.00 PGR (0.36) PGRCTSSHSD11B1HTTLMNA
SCHEMBL5790318 0.81 MAPT (0.52) PGRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL5764197 0.81 MAPT (0.52) PGRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL5791086 0.81 MAPT (0.52) PGRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL521737 0.77 SCD (0.43) CTSSKCNJ1KMT2AMEN1PKM
SCHEMBL5761399 0.74 PGR (0.44) PGRCTSSLMNAKMT2AZNF207
SCHEMBL5761394 0.74 PGR (0.44) PGRCTSSLMNAKMT2AZNF207
SCHEMBL7383256 0.71 ALDH1A1 (0.41) HSD11B1HTTLMNAKCNJ1KMT2A
SCHEMBL5761621 0.68 MAPT (0.43) HTTLMNASMN1; SMN2NPC1RAB9A

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-1656357-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-17 EP disclosed
WO-2005005399-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed