SCHEMBL30847667

SCHEMBL30847667

CN(C(=O)Oc1c(N2CCN(CCO[Si](C)(C)C(C)(C)C)C2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 7/20 0.36
LIPE Q05469 3/20 0.35
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
ACHE P22303 1/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL30847685 0.82 MEN1 (0.35) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL30847713 0.80 POLQ (0.41) POLQDRD2DRD3KCNH2TACR1
SCHEMBL30847735 0.80 POLQ (0.38) POLQDRD2DRD3TACR1
SCHEMBL30847729 0.80 POLQ (0.38) POLQDRD2DRD3TACR1
SCHEMBL30847656 0.79 DRD2 (0.34) DRD2DRD3KCNH2SCN9ASCN10A
SCHEMBL30847546 0.79 POLQ (0.37) POLQ
SCHEMBL30847772 0.78 POLQ (0.38) POLQDRD2DRD3KCNH2SCN9A
SCHEMBL30847683 0.76 POLQ (0.38) POLQTACR1
SCHEMBL30847786 0.75 POLQ (0.39) POLQNPSR1SCN9ATACR1
SCHEMBL30847774 0.75 POLQ (0.41) POLQLIPETACR1

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
EP-4598901-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF Thomas Jefferson University (US) 2025-08-13 EP disclosed
WO-2024076964-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-04-11 WO disclosed