SCHEMBL25937403

SCHEMBL25937403

CC(C)(C)OC(=O)NCC(=O)N1CCOc2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.41
USP30 Q70CQ3 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
RIPK1 Q13546 2/20 0.39
DGAT1 O75907 2/20 0.38
SOAT2 O75908 1/20 0.38
SOAT1 P35610 1/20 0.38
POLB P06746 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
CASP6 P55212 1/20 0.37
PTPN11 Q06124 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RORC P51449 3/20 0.37
LCK P06239 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
MEN1 O00255 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
SCHEMBL25937545 0.94 KCNQ2 (0.46) KCNQ2USP30SIGMAR1RIPK1RORC
SCHEMBL30557580 0.94 KCNQ2 (0.46) KCNQ2USP30SIGMAR1RIPK1RORC
SCHEMBL25937779 0.86 KDR (0.43) USP30SIGMAR1RIPK1LCKMET
SCHEMBL25937565 0.85 KCNQ2 (0.40) KCNQ2SIGMAR1RIPK1POLBDUSP3
SCHEMBL25937424 0.84 NOTUM (0.53) SIGMAR1ALDH1A1
SCHEMBL25937866 0.84 TP53 (0.40) SIGMAR1POLBTDP1RORC
SCHEMBL27983431 0.84 MAPT (0.41) USP30ALDH1A1
SCHEMBL25937726 0.83 DPP8 (0.40) KCNQ2SIGMAR1MEN1ALDH1A1TSHR
SCHEMBL25429865 0.83 DGAT1 (0.42) KCNQ2DGAT1SOAT2SOAT1POLB
SCHEMBL25937688 0.82 SIGMAR1 (0.38) KCNQ2SIGMAR1RORCMETMEN1

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