SCHEMBL28357342

SCHEMBL28357342

CC(C)(C)OC(=O)NCCN(C(=O)O)c1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.40
AKT1 P31749 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
MALT1 Q9UDY8 1/20 0.38
BCHE P06276 1/20 0.36
NQO2 P16083 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTPN11 Q06124 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL16935680 0.90 CKS1B (0.40) CKS1BSKP1SKP2MEN1GAA
SCHEMBL15283620 0.88 CKS1B (0.50) CKS1BSKP1SKP2MEN1GAA
SCHEMBL16499930 0.78 CKS1B (0.42) CKS1BSKP1SKP2MEN1GAA
SCHEMBL7430950 0.77 NQO2 (0.47) CKS1BSKP1SKP2MEN1GAA
SCHEMBL15189256 0.76 NPC1 (0.52) CKS1BSKP1SKP2MEN1GAA
SCHEMBL15862041 0.76 IDO1 (0.40) CKS1BSKP1SKP2MEN1GAA
SCHEMBL11961188 0.75 CA2 (0.55) KMT2AIDO1TDP1CA1CA2
SCHEMBL3068694 0.74 SMN1; SMN2 (0.47) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL16444538 0.74 SMN1; SMN2 (0.47) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL16444539 0.74 SMN1; SMN2 (0.47) CKS1BSKP1SKP2MEN1KMT2A

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
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN disclosed