SCHEMBL433502

SCHEMBL433502

CC(C)COC(=O)N1CC(Oc2nnc(Cl)cc2N)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.42
HRH1 P35367 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.36
PIK3CD O00329 1/20 0.36
GPR119 Q8TDV5 5/20 0.35
KIT P10721 1/20 0.35
POLB P06746 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
MDM2 Q00987 2/20 0.33
DPP4 P27487 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL433156 0.85 MDM2 (0.42) HDAC2HRH1SLC6A15PIK3CDGPR119
SCHEMBL432988 0.82 CACNB4 (0.41) HDAC2PIK3CD
SCHEMBL433103 0.75 HDAC2 (0.39) HDAC2HRH1SLC6A15GPR119KIT
SCHEMBL462925 0.70 HDAC2 (0.36) HDAC2PIK3CDGPR119MEN1KMT2A
SCHEMBL434448 0.70 HDAC2 (0.40) HDAC2GPR119KIT
SCHEMBL432425 0.69 HDAC2 (0.39) HDAC2HRH1SLC6A15GPR119KIT
SCHEMBL4191420 0.68 FAAH (0.49) KITPOLB
SCHEMBL2229068 0.68 RAB9A (0.44) HDAC2KITPOLBJAK2JAK1
SCHEMBL29283992 0.67 TDP1 (0.41)
SCHEMBL16053741 0.67 ENPP2 (0.46) HDAC2KITPOLB

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-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed