SCHEMBL1127244

SCHEMBL1127244

CC(C)COC(=O)N1CCN(C(N)=S)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37
TSHR P16473 2/20 0.36
P2RX4 Q99571 1/20 0.36
PKM P14618 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
SCHEMBL11392707 0.84 GAA (0.45) KITRAB9AGAAALDH1A1KDM4E
SCHEMBL28239992 0.83 KIT (0.42) KITRAB9AGAAALDH1A1KDM4E
SCHEMBL3953558 0.82 KIT (0.44) KITRAB9AGAAALDH1A1KDM4E
SCHEMBL1127333 0.81 GAA (0.54) RAB9AGAAALDH1A1NOS3NOS2
SCHEMBL8921640 0.80 RAB9A (0.45) KITRAB9AALDH1A1KDM4EHRH2
SCHEMBL1127578 0.80 GAA (0.39) KITRAB9AGAANOS3NOS2
SCHEMBL12233216 0.80 RAB9A (0.51) KITRAB9AALDH1A1HRH2HRH1
SCHEMBL5407237 0.80 MEN1 (0.52) KITRAB9AALDH1A1HRH2HRH1
SCHEMBL13503648 0.79 KIT (0.44) KITRAB9AALDH1A1KDM4EHRH2
SCHEMBL5675565 0.79 RAB9A (0.47) KITRAB9AALDH1A1KDM4EHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509978-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E.I. Du Pont De Nemours And Company (US) 2012-10-17 EP disclosed
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed
EP-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 WO disclosed