SCHEMBL4607365

SCHEMBL4607365

CC1(C#N)CC=Cc2cccnc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.32
KEAP1 Q14145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4601176 0.75
SCHEMBL25961290 0.73 PDK2 (0.33)
SCHEMBL31205162 0.71
SCHEMBL31520298 0.69
SCHEMBL17231942 0.68 KDM4E (0.33) KEAP1ALDH1A1
SCHEMBL22275903 0.66 KDM1A (0.33) KEAP1
SCHEMBL20851456 0.66 KDM1A (0.33) KEAP1
SCHEMBL30008586 0.65 L3MBTL1 (0.35) ALDH1A1POLBSMN1; SMN2
SCHEMBL1126348 0.65 NPC1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL12245773 0.64

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-1931660-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed