SCHEMBL1114459

SCHEMBL1114459

CC(Oc1c(Br)cc(-c2noc(C(=O)N3CCC(Cc4ccccc4)CC3)n2)cc1Br)C(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
HDAC4 P56524 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL17817916 0.85 HDAC4 (0.47) MEN1KMT2AHDAC4SMN1; SMN2KCNH2
SCHEMBL1114616 0.81 HDAC4 (0.51) MEN1KMT2AHDAC4SMN1; SMN2KCNH2
SCHEMBL1114379 0.81 HDAC4 (0.55) MEN1KMT2AHDAC4SMN1; SMN2KCNH2
SCHEMBL1114456 0.81 HDAC4 (0.46) MEN1KMT2AHDAC4SMN1; SMN2KCNH2
SCHEMBL1114469 0.77 HDAC4 (0.46) MEN1KMT2AHDAC4SMN1; SMN2KCNH2
SCHEMBL1114458 0.76 HDAC4 (0.46) MEN1KMT2AHDAC4SMN1; SMN2KCNH2
SCHEMBL8394294 0.76 HDAC4 (0.44) MEN1KMT2AHDAC4SMN1; SMN2KCNH2
SCHEMBL1114524 0.74 HDAC4 (0.55) MEN1KMT2AHDAC4SMN1; SMN2KCNH2
SCHEMBL8051932 0.68 KCNH2 (0.55) MEN1KMT2ASMN1; SMN2KCNH2MCHR1
SCHEMBL4577022 0.67 KCNH2 (0.64) MEN1KMT2AAPOBEC3AAPOBEC3GKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP claimed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP disclosed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed