SCHEMBL25937726

SCHEMBL25937726

CC(C)(C)OC(=O)NCC(=O)N1CCOCc2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
NOTUM Q6P988 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
PIK3CD O00329 3/20 0.38
CYP3A4 P08684 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CA P42336 2/20 0.38
AKT1 P31749 1/20 0.38
PIK3CG P48736 1/20 0.38
NAMPT P43490 2/20 0.37
PER2 O15055 1/20 0.36
KCNQ2 O43526 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 2/20 0.35
LMNA P02545 1/20 0.35
CD274 Q9NZQ7 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
SCHEMBL25937485 0.85 SIGMAR1 (0.45) NOTUMSIGMAR1CYP3A4NAMPTALDH1A1
SCHEMBL25937382 0.84 BRD4 (0.48) DPP8DPP9NOTUMSIGMAR1KCNQ2
SCHEMBL30557646 0.84 BRD4 (0.48) DPP8DPP9NOTUMSIGMAR1KCNQ2
SCHEMBL25430638 0.84 PIK3CD (0.43) NOTUMPIK3CDCYP3A4PIK3CBPIK3CA
SCHEMBL25937403 0.83 KCNQ2 (0.41) SIGMAR1KCNQ2MEN1KMT2AALDH1A1
SCHEMBL25937545 0.80 KCNQ2 (0.46) SIGMAR1KCNQ2MEN1KMT2AALDH1A1
SCHEMBL30557580 0.80 KCNQ2 (0.46) SIGMAR1KCNQ2MEN1KMT2AALDH1A1
SCHEMBL25937565 0.78 KCNQ2 (0.40) SIGMAR1KCNQ2MEN1KMT2AALDH1A1
SCHEMBL25937732 0.77 AKT1 (0.47) NOTUMPIK3CDCYP3A4PIK3CBPIK3CA
SCHEMBL25937707 0.76 BRD4 (0.39) DPP8DPP9SIGMAR1MEN1KMT2A

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