SCHEMBL25937359

SCHEMBL25937359

CC(C)(C)OC(=O)NCC(=O)N1CCC(=O)Nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.48
CRBN Q96SW2 2/20 0.48
ALDH1A1 P00352 5/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.45
BRD4 O60885 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
CASP3 P42574 1/20 0.44
CASP2 P42575 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
DRD2 P14416 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41

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
SCHEMBL25937263 0.89 ALDH1A1 (0.60) ALDH1A1POLBKDM4EHPGDCASP3
SCHEMBL30557526 0.89 ALDH1A1 (0.60) ALDH1A1POLBKDM4EHPGDCASP3
SCHEMBL25430623 0.83 ALDH1A1 (0.55) ALDH1A1POLBKDM4EHPGDBRD4
SCHEMBL30557602 0.82 NOTUM (0.56) ALDH1A1SIGMAR1KMT2AMEN1RAB9A
SCHEMBL31033163 0.81 BRD4 (0.52) DDB1CRBNALDH1A1BRD4CASP3
SCHEMBL29730857 0.78 BRD4 (0.53) CRBNALDH1A1BRD4RAB9ASMN1; SMN2
SCHEMBL30557529 0.77 GRM7 (0.57) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL3103616 0.77 GRM7 (0.57) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL30557604 0.76 CTSL (0.53) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL25937370 0.76 BRD4 (0.56) ALDH1A1KDM4EBRD4CASP3CASP2

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