SCHEMBL29314388

SCHEMBL29314388

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 6/20 0.50
LIPE Q05469 7/20 0.38
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1H3 Q13133 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL30847641 0.92 POLQ (0.43) POLQLIPELMNANPSR1HTT
SCHEMBL29314384 0.90 POLQ (0.52) POLQLIPELMNANPSR1HTT
SCHEMBL30847644 0.87 POLQ (0.41) POLQLIPELMNANPSR1HTT
SCHEMBL30847596 0.86 POLQ (0.50) POLQLIPELMNANPSR1HTT
SCHEMBL30847689 0.85 LIPE (0.39) POLQLIPELMNANPSR1HTT
SCHEMBL30847733 0.83 TACR1 (0.44) POLQMEN1KMT2A
SCHEMBL29314375 0.83 POLQ (0.47) POLQLIPELMNANPSR1HTT
SCHEMBL29314395 0.81 POLQ (0.43) POLQLIPELMNANPSR1TLR7
SCHEMBL31009186 0.79 POLQ (0.44) POLQLIPE
SCHEMBL29314065 0.79 POLQ (0.44) POLQLIPELMNANPSR1HTT

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 4 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-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
WO-2024076964-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-04-11 WO disclosed