SCHEMBL30847689

SCHEMBL30847689

CN(C(=O)Oc1c(I)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(OC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 8/20 0.39
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
POLQ O75417 5/20 0.36
RAB9A P51151 1/20 0.36
EPHX2 P34913 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
SRD5A1 P18405 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL29314388 0.85 POLQ (0.50) LIPENPSR1MEN1KMT2ALMNA
SCHEMBL30847750 0.79 LIPE (0.34) LIPENPSR1MEN1KMT2ALMNA
SCHEMBL30847641 0.78 POLQ (0.43) LIPENPSR1MEN1KMT2ALMNA
SCHEMBL29314384 0.76 POLQ (0.52) LIPENPSR1LMNAHTTPOLQ
SCHEMBL30847644 0.73 POLQ (0.41) LIPENPSR1MEN1KMT2ALMNA
SCHEMBL30847616 0.72 GPBAR1 (0.36) LIPEPOLQTLR7
SCHEMBL30847596 0.72 POLQ (0.50) LIPENPSR1MEN1KMT2ALMNA
SCHEMBL30847686 0.72 POLQ (0.41) LIPEPOLQTLR7
SCHEMBL30847594 0.71 POLQ (0.39) LIPEMAPTPOLQTLR7
SCHEMBL30847810 0.71 POLQ (0.39) LIPEMAPTPOLQTLR7

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