SCHEMBL4586891

SCHEMBL4586891

N=C(NO)N1CCC(NC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
EPHX2 P34913 9/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35

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
Hydrochloric Acid SCHEMBL3771945 0.78 CPN1 (0.46) EPHX1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL23573522 0.75 EPHX1 (0.42) EPHX1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL6539120 0.75 EPHX2 (0.65) EPHX1EPHX2
SCHEMBL23573243 0.75 HTT (0.57) EPHX1ALDH1A1POLBHTT
SCHEMBL5563824 0.72 ALDH1A1 (0.62) EPHX1EPHX2ALDH1A1POLBHTT
SCHEMBL4313579 0.72 GAA (0.47) ALDH1A1
SCHEMBL30060550 0.72 EPHX2 (0.47) EPHX1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL3282686 0.72 EPHX1 (0.40) EPHX1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL4049863 0.72 EPHX2 (0.47) EPHX1EPHX2MEN1KMT2A
Hydrochloric Acid SCHEMBL1542979 0.71 CPN1 (0.42) EPHX1EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581213-A4 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2008-11-19 EP disclosed
EP-1581213-A1 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-10-05 EP disclosed
WO-2004058253-A1 3,5-DISUBSTITUTED-[1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2004-07-15 WO disclosed