SCHEMBL20141217

SCHEMBL20141217

Cc1nn(CCNC(=O)OC(C)(C)C)c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
DRD2 P14416 1/20 0.42
BRD4 O60885 3/20 0.40
IDO1 P14902 2/20 0.40
AKT1 P31749 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL20141718 0.81 CKS1B (0.45) CKS1BSKP1SKP2DRD2IDO1
SCHEMBL20139539 0.80 ALDH1A1 (0.39) DRD2BRD4
SCHEMBL31357676 0.80 BCHE (0.47) DRD2BRD4
SCHEMBL18765017 0.77 POLB (0.46) DRD2BRD4
SCHEMBL17619511 0.76 ALDH1A1 (0.56) CKS1BSKP1SKP2DRD2IDO1
SCHEMBL6417674 0.75 MAPT (0.39) DRD2BRD4IDO1
Hydrochloric Acid SCHEMBL14736483 0.74 PDE10A (0.47) CKS1BSKP1SKP2DRD2BRD4
SCHEMBL18942729 0.74 AKT1 (0.49) CKS1BSKP1SKP2DRD2IDO1
SCHEMBL1313637 0.74 BRD9 (0.46) CKS1BSKP1SKP2DRD2IDO1
SCHEMBL28092204 0.74 ALDH1A1 (0.40) DRD2IDO1SIGMAR1

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