SCHEMBL9540577

SCHEMBL9540577

CC(C)(C)OC(=O)NCCN(CBr)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
IDO1 P14902 2/20 0.44
AKT1 P31749 2/20 0.44
MALT1 Q9UDY8 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
BCHE P06276 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
NQO2 P16083 1/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL17532685 0.92 CKS1B (0.53) CKS1BSKP1SKP2IDO1AKT1
SCHEMBL9743741 0.88 CKS1B (0.50) CKS1BSKP1SKP2IDO1AKT1
SCHEMBL24455201 0.86 CKS1B (0.48) CKS1BSKP1SKP2IDO1MALT1
SCHEMBL24795927 0.83 CKS1B (0.52) CKS1BSKP1SKP2IDO1AKT1
SCHEMBL22833183 0.80 CTSL (0.54) CKS1BSKP1SKP2IDO1AKT1
SCHEMBL5018714 0.79 CKS1B (0.47) CKS1BSKP1SKP2IDO1AKT1
SCHEMBL24340866 0.79 CKS1B (0.43) CKS1BSKP1SKP2NQO2CA12
SCHEMBL17532689 0.78 HPGD (0.46) CKS1BSKP1SKP2IDO1NQO2
SCHEMBL24455218 0.78 KMT2A (0.52) CKS1BSKP1SKP2IDO1MALT1
SCHEMBL17532693 0.78 NQO2 (0.49) CKS1BSKP1SKP2IDO1MALT1

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-1993000906-A1 MUSCARINIC ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-01-21 WO disclosed