SCHEMBL25428126

SCHEMBL25428126

O=C(O)NCC(=O)N1CCn2cncc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
CDK1 P06493 1/20 0.40
MYT1 Q01538 1/20 0.40
SPR P35270 1/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
SYK P43405 1/20 0.34
SCN9A Q15858 1/20 0.33
SOS1 Q07889 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
PRMT3 O60678 3/20 0.32
RAB9A P51151 2/20 0.32
P2RY12 Q9H244 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL25428013 0.75 DPP4 (0.48) NAMPTCDK1MYT1SPRKMT2A
Trifluoroacetic Acid SCHEMBL25430229 0.75 NAMPT (0.39) NAMPTCDK1MYT1SPRSCN9A
SCHEMBL30878026 0.74 NAMPT (0.50) NAMPTCDK1MYT1SPRSYK
SCHEMBL25429882 0.72 SCD (0.46) NAMPTCDK1MYT1SPRKMT2A
SCHEMBL25432305 0.71 SCN9A (0.41) NAMPTCDK1MYT1SPRKMT2A
SCHEMBL25430234 0.65 NOTUM (0.43)
SCHEMBL2907861 0.64 ATM (0.48) RAB9AL3MBTL1
SCHEMBL19813202 0.63 KMT2A (0.35) KMT2AMEN1ITGB3ITGA2BPRMT3
SCHEMBL25429026 0.62 DPP4 (0.56)
SCHEMBL16093860 0.62 GRM5 (0.44) KMT2AMEN1RAB9A

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 1 patent. 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