SCHEMBL8360304

SCHEMBL8360304

CC[C@@H](C)NC(=O)c1cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.51
F3 P13726 2/20 0.40
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL6645944 0.90 F7 (0.47) F7F3ALDH1A1JAK2JAK1
SCHEMBL8363690 0.89 MEN1 (0.42) F7F3ALDH1A1GAAMAPT
SCHEMBL8360311 0.89 F7 (0.40) F7F3ALDH1A1GAAMAPT
SCHEMBL6797704 0.88 F7 (0.41) F7F3ALDH1A1GAAHPGD
SCHEMBL8363659 0.84 F7 (0.47) F7F3GAAMAPT
SCHEMBL6791991 0.83 F7 (0.44) F7F3ALDH1A1GAAHPGD
SCHEMBL6791974 0.83 F7 (0.44) F7F3ALDH1A1GAAHPGD
SCHEMBL6794526 0.79 F7 (0.44) F7F3GAAMAPT
SCHEMBL6794515 0.79 F7 (0.44) F7F3GAAMAPT
SCHEMBL8360872 0.77 F7 (0.43) F7F3ALDH1A1GAAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed