SCHEMBL25937866

SCHEMBL25937866

CC(C)(C)OC(=O)NCC(=O)N1CCOc2cc(F)c(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.40
TDP1 Q9NUW8 3/20 0.39
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
EGFR P00533 3/20 0.37
ERBB2 P04626 1/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
AURKB Q96GD4 1/20 0.36
RORC P51449 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
SCHEMBL25937688 0.85 SIGMAR1 (0.38) EGFRSIGMAR1RORC
SCHEMBL25937403 0.84 KCNQ2 (0.41) TDP1POLBSIGMAR1RORC
SCHEMBL25428080 0.83 TP53 (0.41) TP53TDP1MAPTEGFRERBB2
SCHEMBL25937883 0.80 EGFR (0.40) EGFRSIGMAR1AURKB
SCHEMBL25937424 0.79 NOTUM (0.53) TP53MAPTRXFP1SIGMAR1
SCHEMBL25937779 0.79 KDR (0.43) TP53MAPTSIGMAR1
SCHEMBL25937545 0.78 KCNQ2 (0.46) SIGMAR1RORC
SCHEMBL30557580 0.78 KCNQ2 (0.46) SIGMAR1RORC
SCHEMBL25937565 0.78 KCNQ2 (0.40) TDP1POLBMAPTPKMSIGMAR1
SCHEMBL25937750 0.78 SIGMAR1 (0.41) EGFRSIGMAR1

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed