SCHEMBL25937813

SCHEMBL25937813

CC(C)(C)OC(=O)NCC(=O)N1CCn2cncc2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 4/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
CDK1 P06493 1/20 0.40
MYT1 Q01538 1/20 0.40
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
SPR P35270 1/20 0.36
SCN9A Q15858 1/20 0.35
CYP3A4 P08684 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL5765341 0.80 NR1H2 (0.49) ALDH1A1NAMPTCDK1MYT1NR1H2
SCHEMBL25937529 0.79 SIGMAR1 (0.47) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL25937516 0.77 SIGMAR1 (0.47) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL25937815 0.73 NAMPT (0.44) SIGMAR1NAMPTCDK1MYT1SPR
SCHEMBL19981885 0.72 ALDH1A1 (0.51) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL25313503 0.71 ALDH1A1 (0.59) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL5445038 0.71 ALDH1A1 (0.59) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL28018778 0.71 MEN1 (0.59) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL1306785 0.71 SIGMAR1 (0.61) SIGMAR1ALDH1A1FNTAFNTBCYP3A4
SCHEMBL1329658 0.71 TSHR (0.62) SIGMAR1ALDH1A1MEN1TSHRKMT2A

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