SCHEMBL30847644

SCHEMBL30847644

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.41
LIPE Q05469 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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 0.87 POLQ (0.50) POLQLIPEMEN1KMT2ASMN1; SMN2
SCHEMBL30847622 0.85 LIPE (0.39) LIPEMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30847641 0.81 POLQ (0.43) POLQLIPEMEN1KMT2ASMN1; SMN2
SCHEMBL29314384 0.80 POLQ (0.52) POLQLIPELMNAALDH1A1TLR7
SCHEMBL30847717 0.75 DRD3 (0.35) POLQLIPESLC6A3RAB9A
SCHEMBL30847596 0.75 POLQ (0.50) POLQLIPEMEN1KMT2ASMN1; SMN2
SCHEMBL30847616 0.73 GPBAR1 (0.36) POLQLIPETLR7GPBAR1
SCHEMBL30847689 0.73 LIPE (0.39) POLQLIPEMEN1KMT2AMAPT
SCHEMBL29314375 0.73 POLQ (0.47) POLQLIPEMEN1KMT2ASMN1; SMN2
SCHEMBL30847686 0.73 POLQ (0.41) POLQLIPETLR7GPBAR1

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