SCHEMBL20139210

SCHEMBL20139210

CC(C)(C)OC(=O)N1CCN(c2ccccc2N=[N+]=[N-])CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NAMPT P43490 1/20 0.45
BACE1 P56817 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL14672159 0.84 GPR119 (0.50) RBP4GPR119SMARCA2SMARCA4PBRM1
SCHEMBL14355788 0.80 GPR119 (0.44) RBP4GPR119SMARCA2SMARCA4PBRM1
SCHEMBL13216759 0.79 RBP4 (0.69) RBP4GPR119SMARCA2SMARCA4PBRM1
SCHEMBL19126563 0.79 MAPT (0.58) GPR119ALDH1A1LMNAMAPTNAMPT
SCHEMBL17276765 0.78 CKS1B (0.55) RBP4GPR119SMARCA2SMARCA4PBRM1
SCHEMBL2382922 0.77 GAA (0.69) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL30613376 0.77 GAA (0.69) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL3436307 0.77 AKR1C3 (0.57) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL14852499 0.77 MEN1 (0.56) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL30208139 0.77 MEN1 (0.56) GPR119SMARCA2SMARCA4PBRM1CKS1B

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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed