SCHEMBL28053391

SCHEMBL28053391

CC(C)(C)C(=O)ONc1cccc(Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
PDK1 Q15118 5/20 0.40
PDK2 Q15119 5/20 0.40
PDK3 Q15120 5/20 0.40
PDK4 Q16654 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
LMNA P02545 2/20 0.39
CCR2 P41597 2/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RIPK1 Q13546 1/20 0.37
CSF1R P07333 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL28090565 0.84 LMNA (0.49) POLBPDK1PDK2PDK3PDK4
SCHEMBL28060867 0.82 PDK1 (0.39) POLBPDK1PDK2PDK3PDK4
SCHEMBL28060869 0.81 PDK1 (0.43) POLBPDK1PDK2PDK3PDK4
SCHEMBL28832949 0.78 PDK1 (0.51) PDK1PDK2PDK3PDK4MEN1
SCHEMBL28070054 0.75 P2RX7 (0.43) POLBMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL29991642 0.73 RXFP1 (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL12517737 0.73 RXFP1 (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL28876956 0.72 POLB (0.49) POLBMEN1KMT2AMAPK1LMNA
SCHEMBL28090478 0.71 PDK1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL28044065 0.71 HDAC1 (0.42) MAPK1LMNAALDH1A1

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-103896921-B As compound and the composition of kinases inhibitor IRM LLC (BM) 2016-02-24 CN disclosed