SCHEMBL5824229

SCHEMBL5824229

NC(=O)Cc1nc(C=NO)c(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5824226 0.71 F2 (0.43) F2MEN1LMNAALDH1A1RAB9A
SCHEMBL11037082 0.71 FBP1 (0.30)
SCHEMBL5731997 0.66 MEN1 (0.43) MEN1LMNAALDH1A1RAB9A
SCHEMBL5731999 0.66 MEN1 (0.43) MEN1LMNAALDH1A1RAB9A
SCHEMBL20625628 0.61 F2 (0.36) F2MEN1ALDH1A1RAB9AL3MBTL1
SCHEMBL30271626 0.59 F2 (0.38) F2MEN1LMNAALDH1A1RAB9A
SCHEMBL25215681 0.59 F2 (0.41) F2MEN1LMNAALDH1A1RAB9A
SCHEMBL11367950 0.59 F2 (0.44) F2MEN1LMNAALDH1A1RAB9A
SCHEMBL2651752 0.59 ALDH1A1 (0.51) F2MEN1LMNAALDH1A1RAB9A
SCHEMBL30859024 0.58 F2 (0.37) F2MEN1LMNAALDH1A1RAB9A

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-1664063-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2006-06-07 EP disclosed
WO-2005026177-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2005-03-24 WO disclosed