SCHEMBL25937516

SCHEMBL25937516

CC(C)(C)OC(=O)NCC(=O)N1CCn2ccnc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

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
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
P2RX7 Q99572 1/20 0.42
VNN1 O95497 1/20 0.41
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
CDK1 P06493 1/20 0.40
MYT1 Q01538 1/20 0.40
MAPK8 P45983 1/20 0.40
NAMPT P43490 1/20 0.37
MMP1 P03956 2/20 0.37
MMP13 P45452 2/20 0.37
MMP9 P14780 1/20 0.37
RIPK1 Q13546 1/20 0.36
ADAM17 P78536 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
SCHEMBL25937529 0.81 SIGMAR1 (0.47) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL25429882 0.81 SCD (0.46) ALDH1A1MEN1KMT2AP2RX7VNN1
SCHEMBL1018629 0.80 P2RX7 (0.46) ALDH1A1P2RX7VNN1SCDSCD5
SCHEMBL25937813 0.77 SIGMAR1 (0.47) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL25937798 0.75 ALDH1A1 (0.47) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL26967204 0.74 NAMPT (0.34) SIGMAR1P2RX7VNN1NAMPT
SCHEMBL1083238 0.74 SIGMAR1 (0.45) SIGMAR1ALDH1A1MEN1TSHRKMT2A
SCHEMBL25937522 0.73 SCD (0.46) SIGMAR1P2RX7VNN1SCDSCD5
SCHEMBL25937808 0.73 DPP4 (0.49) SIGMAR1
SCHEMBL31377191 0.72 P2RX7 (0.36) ALDH1A1MEN1KMT2AP2RX7VNN1

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