SCHEMBL20141102

SCHEMBL20141102

CC(C)(C)OC(=O)N1CCN(c2cccnc2S(C)(=O)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
GPR119 Q8TDV5 12/20 0.50
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
DTYMK P23919 1/20 0.47
ACHE P22303 1/20 0.46
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
AKT1 P31749 1/20 0.44

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
SCHEMBL10317314 0.85 POLB (0.58) POLBGPR119CKS1BSKP1SKP2
SCHEMBL20129609 0.84 POLB (0.46) POLBGPR119CKS1BSKP1SKP2
SCHEMBL20141848 0.83 EED (0.40) ALDH1A1LMNAMAPT
SCHEMBL22391780 0.82 POLB (0.58) POLBGPR119CKS1BSKP1SKP2
SCHEMBL30592004 0.81 POLB (0.57) POLBGPR119CKS1BSKP1SKP2
SCHEMBL21401570 0.81 POLB (0.57) POLBGPR119CKS1BSKP1SKP2
SCHEMBL14206364 0.81 POLB (0.57) POLBGPR119CKS1BSKP1SKP2
SCHEMBL123592 0.81 POLB (0.71) POLBGPR119CKS1BSKP1SKP2
SCHEMBL20919401 0.80 POLB (0.56) POLBGPR119CKS1BSKP1SKP2
SCHEMBL30292496 0.80 POLB (0.56) POLBGPR119CKS1BSKP1SKP2

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed