SCHEMBL8360872

SCHEMBL8360872

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.43
F3 P13726 2/20 0.42
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SYK P43405 1/20 0.31
GUSB P08236 1/20 0.31

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
SCHEMBL8360311 0.89 F7 (0.40) F7F3ALDH1A1GAAMAPT
SCHEMBL8363188 0.86 F7 (0.55) F7F3SYK
SCHEMBL6791732 0.86 F7 (0.48) F7F3ALDH1A1SYK
SCHEMBL6791726 0.86 F7 (0.48) F7F3ALDH1A1SYK
SCHEMBL6794526 0.85 F7 (0.44) F7F3GAAMAPTLMNA
SCHEMBL6794515 0.85 F7 (0.44) F7F3GAAMAPTLMNA
SCHEMBL8360874 0.85 F7 (0.42) F7F3GAAMAPTKDM4E
SCHEMBL6797477 0.82 F7 (0.43) F7F3ALDH1A1GAASYK
SCHEMBL6797466 0.82 F7 (0.43) F7F3ALDH1A1GAASYK
SCHEMBL6791505 0.82 F7 (0.52) F7F3MAPTLMNA

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